Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 20 results

Search term: C86H152N4O39 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34449044

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(105)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-69(111)68(110)72(58(44-95)121-80)123-82-71(113)78(129-86(84(116)117)39-53(102)62(88-48(4)98)76(127-86)65(107)55(104)41-92)73(59(45-96)122-82)124-79-63(89-49(5)99)74(66(108)56(42-93)119-79)125-81-70(112)77(67(109)57(43-94)120-81)128-85(83(114)115)38-52(101)61(87-47(3)97)75(126-85)64(106)54(103)40-91/h34,36,50-59,61-82,91-96,100-104,106-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79-,80+,81-,82-,85-,86-/m0/s1
C86H152N4O391866.13053400
8052988

Double-bond stereo

27 of 34 defined stereocentres - 27/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(105)90-50(51(100)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-118-80-69(111)68(110)72(58(42-95)123-80)125-82-71(113)78(120-46-86(84(116)117)37-53(102)62(88-48(4)98)76(129-86)65(107)55(104)39-92)73(59(43-96)124-82)126-79-63(89-49(5)99)74(66(108)56(40-93)121-79)127-81-70(112)77(67(109)57(41-94)122-81)119-45-85(83(114)115)36-52(101)61(87-47(3)97)75(128-85)64(106)54(103)38-91/h32,34,50-59,61-82,91-96,100-104,106-113H,6-31,33,35-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/b34-32+/t50?,51?,52-,53-,54?,55?,56+,57+,58+,59+,61+,62+,63+,64?,65?,66-,67-,68+,69+,70+,71+,72?,73+,74+,75+,76+,77-,78+,79-,80+,81-,82-,85-,86-/m0/s1
C86H152N4O391866.130482100
24848844

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-71(112)69(110)73(58(44-95)121-80)123-82-72(113)78(74(59(45-96)122-82)124-79-63(89-49(5)99)75(66(107)56(42-93)119-79)125-81-70(111)68(109)65(106)55(41-92)120-81)129-86(84(116)117)39-53(102)62(88-48(4)98)77(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)76(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55?,56?,57+,58?,59?,61+,62+,63?,64+,65-,66-,67+,68-,69+,70?,71?,72?,73+,74-,75+,76?,77?,78+,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
24848860

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(105)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-69(111)68(110)72(58(44-95)121-80)123-82-71(113)78(129-86(84(116)117)39-53(102)62(88-48(4)98)76(127-86)65(107)55(104)41-92)73(59(45-96)122-82)124-79-63(89-49(5)99)74(66(108)56(42-93)119-79)125-81-70(112)77(67(109)57(43-94)120-81)128-85(83(114)115)38-52(101)61(87-47(3)97)75(126-85)64(106)54(103)40-91/h34,36,50-59,61-82,91-96,100-104,106-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55+,56?,57?,58?,59?,61+,62+,63?,64+,65+,66-,67-,68+,69?,70?,71?,72+,73-,74+,75?,76?,77-,78+,79-,80+,81-,82-,85-,86-/m0/s1
C86H152N4O391866.13051100
24848924

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-70(111)68(109)74(57(43-94)121-80)125-81-71(112)69(110)73(58(44-95)122-81)124-79-63(89-49(5)98)75(67(108)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)76(127-85)64(105)54(102)40-91)126-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(101)62(88-48(4)97)77(128-86)65(106)55(103)41-92/h34,36,50-59,61-82,91-95,99-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55+,56?,57?,58?,59?,61+,62+,63?,64+,65+,66-,67-,68+,69+,70?,71?,72?,73-,74+,75+,76?,77?,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
24848956

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-71(112)69(110)73(57(43-94)121-80)124-82-72(113)78(129-86(84(116)117)39-53(101)62(88-48(4)97)77(128-86)65(106)55(103)41-92)74(58(44-95)122-82)125-79-63(89-49(5)98)75(126-81-70(111)68(109)66(107)56(42-93)120-81)67(108)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)76(127-85)64(105)54(102)40-91/h34,36,50-59,61-82,91-95,99-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55+,56?,57?,58?,59?,61+,62+,63?,64+,65+,66-,67-,68-,69+,70?,71?,72?,73+,74-,75+,76?,77?,78+,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
24849028

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)68(109)74(58(44-95)121-80)124-81-71(112)69(110)73(59(45-96)122-81)123-79-63(89-49(5)99)75(65(106)55(41-92)119-79)125-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(102)62(88-48(4)98)77(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)76(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55?,56?,57+,58?,59?,61+,62+,63?,64+,65-,66-,67+,68+,69+,70?,71?,72?,73-,74+,75+,76?,77?,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
24849460

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)69(110)73(59(45-96)122-80)123-81-71(112)77(66(107)56(42-93)120-81)125-79-63(89-49(5)99)74(65(106)55(41-92)119-79)124-82-72(113)78(67(108)57(43-94)121-82)129-86(84(116)117)39-53(102)62(88-48(4)98)76(128-86)68(109)58(44-95)126-85(83(114)115)38-52(101)61(87-47(3)97)75(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55?,56?,57?,58+,59?,61+,62+,63?,64+,65+,66-,67-,68+,69+,70?,71?,72?,73+,74+,75?,76?,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
24849468

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-70(111)69(110)73(58(44-95)122-80)124-81-71(112)77(66(107)56(42-93)120-81)126-79-63(89-49(5)98)74(68(109)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)75(127-85)64(105)54(102)40-91)125-82-72(113)78(67(108)57(43-94)121-82)129-86(84(116)117)39-53(101)62(88-48(4)97)76(128-86)65(106)55(103)41-92/h34,36,50-59,61-82,91-95,99-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55+,56?,57?,58?,59?,61+,62+,63?,64+,65+,66-,67-,68+,69+,70?,71?,72?,73+,74+,75?,76?,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
24849556

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)69(110)74(59(45-96)122-80)124-81-71(112)77(65(106)55(41-92)119-81)125-79-63(89-49(5)99)68(109)73(58(44-95)121-79)123-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(102)62(88-48(4)98)76(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)75(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55?,56?,57+,58?,59?,61+,62+,63?,64+,65-,66-,67+,68+,69+,70?,71?,72?,73+,74+,75?,76?,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
24849980

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(103)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-72(112)69(109)75(57(43-94)121-80)125-82-73(113)70(110)74(58(44-95)122-82)124-79-63(89-49(5)98)76(126-81-71(111)68(108)65(105)55(41-92)120-81)67(107)59(123-79)46-119-85(83(114)115)38-52(100)62(88-48(4)97)78(128-85)66(106)56(42-93)127-86(84(116)117)39-53(101)61(87-47(3)96)77(129-86)64(104)54(102)40-91/h34,36,50-59,61-82,91-95,99-102,104-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55?,56+,57?,58?,59?,61+,62+,63?,64+,65-,66+,67-,68-,69+,70+,71?,72?,73?,74-,75+,76+,77?,78?,79-,80+,81-,82-,85+,86+/m0/s1
C86H152N4O391866.13051100
29273164

Double-bond stereo

32 of 34 defined stereocentres - 32/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(105)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-69(111)68(110)72(58(44-95)121-80)123-82-71(113)78(129-86(84(116)117)39-53(102)62(88-48(4)98)76(127-86)65(107)55(104)41-92)73(59(45-96)122-82)124-79-63(89-49(5)99)74(66(108)56(42-93)119-79)125-81-70(112)77(67(109)57(43-94)120-81)128-85(83(114)115)38-52(101)61(87-47(3)97)75(126-85)64(106)54(103)40-91/h34,36,50-59,61-82,91-96,100-104,106-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64?,65?,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79-,80+,81-,82-,85-,86-/m0/s1
C86H152N4O391866.13051200
113383797

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-71(112)69(110)73(58(44-95)121-80)123-82-72(113)78(74(59(45-96)122-82)124-79-63(89-49(5)99)75(66(107)56(42-93)119-79)125-81-70(111)68(109)65(106)55(41-92)120-81)129-86(84(116)117)39-53(102)62(88-48(4)98)77(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)76(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66-,67+,68-,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113383866

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-70(111)68(109)74(57(43-94)121-80)125-81-71(112)69(110)73(58(44-95)122-81)124-79-63(89-49(5)98)75(67(108)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)76(127-85)64(105)54(102)40-91)126-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(101)62(88-48(4)97)77(128-86)65(106)55(103)41-92/h34,36,50-59,61-82,91-95,99-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113383898

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-71(112)69(110)73(57(43-94)121-80)124-82-72(113)78(129-86(84(116)117)39-53(101)62(88-48(4)97)77(128-86)65(106)55(103)41-92)74(58(44-95)122-82)125-79-63(89-49(5)98)75(126-81-70(111)68(109)66(107)56(42-93)120-81)67(108)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)76(127-85)64(105)54(102)40-91/h34,36,50-59,61-82,91-95,99-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113383967

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)68(109)74(58(44-95)121-80)124-81-71(112)69(110)73(59(45-96)122-81)123-79-63(89-49(5)99)75(65(106)55(41-92)119-79)125-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(102)62(88-48(4)98)77(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)76(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113384395

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)69(110)73(59(45-96)122-80)123-81-71(112)77(66(107)56(42-93)120-81)125-79-63(89-49(5)99)74(65(106)55(41-92)119-79)124-82-72(113)78(67(108)57(43-94)121-82)129-86(84(116)117)39-53(102)62(88-48(4)98)76(128-86)68(109)58(44-95)126-85(83(114)115)38-52(101)61(87-47(3)97)75(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113384402

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-70(111)69(110)73(58(44-95)122-80)124-81-71(112)77(66(107)56(42-93)120-81)126-79-63(89-49(5)98)74(68(109)59(123-79)46-119-85(83(114)115)38-52(100)61(87-47(3)96)75(127-85)64(105)54(102)40-91)125-82-72(113)78(67(108)57(43-94)121-82)129-86(84(116)117)39-53(101)62(88-48(4)97)76(128-86)65(106)55(103)41-92/h34,36,50-59,61-82,91-95,99-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113384487

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)69(110)74(59(45-96)122-80)124-81-71(112)77(65(106)55(41-92)119-81)125-79-63(89-49(5)99)68(109)73(58(44-95)121-79)123-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(102)62(88-48(4)98)76(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)75(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73-,74+,75+,76+,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113384910

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(103)90-50(51(99)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-118-80-72(112)69(109)75(57(43-94)121-80)125-82-73(113)70(110)74(58(44-95)122-82)124-79-63(89-49(5)98)76(126-81-71(111)68(108)65(105)55(41-92)120-81)67(107)59(123-79)46-119-85(83(114)115)38-52(100)62(88-48(4)97)78(128-85)66(106)56(42-93)127-86(84(116)117)39-53(101)61(87-47(3)96)77(129-86)64(104)54(102)40-91/h34,36,50-59,61-82,91-95,99-102,104-113H,6-33,35,37-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,90,103)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66+,67-,68-,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82-,85+,86+/m0/s1
C86H152N4O391866.13051100

Advertisement