Define range intervals using parentheses.
E.g. C7H(10-14)O(0-4)

to
±
(example: 123 ± 1)

to
±

to
±
 

to
±
 
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 22 results

Search term: MF = 'C_{81}H_{145}N_{3}O_{31}'
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16744877

Double-bond stereo

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01953200
24848777

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)66(99)71(58(47-88)109-77)111-78-69(102)67(100)72(59(48-89)110-78)112-79-70(103)75(65(98)57(46-87)108-79)113-76-62(83-51(4)91)74(64(97)56(45-86)107-76)115-81(80(104)105)43-54(93)61(82-50(3)90)73(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
24848841

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
24848913

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)66(99)72(58(47-88)109-77)112-78-69(102)67(100)71(59(48-89)110-78)111-76-62(83-51(4)91)73(64(97)56(45-86)107-76)113-79-70(103)75(65(98)57(46-87)108-79)115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
24849025

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)67(99)73(57(46-87)109-77)113-79-71(103)68(100)72(58(47-88)110-79)112-76-62(83-51(4)90)74(114-78-69(101)66(98)64(96)56(45-86)108-78)65(97)59(111-76)49-107-81(80(104)105)43-54(92)61(82-50(3)89)75(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
24849393

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)67(100)71(59(48-89)110-77)111-78-69(102)74(65(98)57(46-87)108-78)113-76-62(83-51(4)91)72(64(97)56(45-86)107-76)112-79-70(103)75(66(99)58(47-88)109-79)115-81(80(104)105)43-54(93)61(82-50(3)90)73(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
24849497

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)68(100)72(58(47-88)110-77)112-79-71(103)75(66(98)57(46-87)109-79)114-76-62(83-51(4)90)73(65(97)56(45-86)108-76)113-78-69(101)67(99)64(96)59(111-78)49-107-81(80(104)105)43-54(92)61(82-50(3)89)74(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
24849505

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)68(100)72(58(47-88)110-77)112-79-71(103)75(65(97)57(46-87)109-79)114-76-62(83-51(4)90)73(113-78-69(101)67(99)64(96)56(45-86)108-78)66(98)59(111-76)49-107-81(80(104)105)43-54(92)61(82-50(3)89)74(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
24849537

Double-bond stereo

18 of 28 defined stereocentres - 18/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)68(100)73(58(47-88)110-77)113-79-71(103)75(65(97)56(45-86)108-79)114-76-62(83-51(4)90)66(98)72(57(46-87)109-76)112-78-69(101)67(99)64(96)59(111-78)49-107-81(80(104)105)43-54(92)61(82-50(3)89)74(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
59696986

Double-bond stereo

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19+,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
76003835

Double-bond stereo

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
113383749

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)66(99)71(58(47-88)109-77)111-78-69(102)67(100)72(59(48-89)110-78)112-79-70(103)75(65(98)57(46-87)108-79)113-76-62(83-51(4)91)74(64(97)56(45-86)107-76)115-81(80(104)105)43-54(93)61(82-50(3)90)73(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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+,81-/m0/s1
C81H145N3O311657.01951100
113383794

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-69(102)67(100)71(58(47-88)109-77)111-79-70(103)75(115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85)72(59(48-89)110-79)112-76-62(83-51(4)91)73(65(98)57(46-87)107-76)113-78-68(101)66(99)64(97)56(45-86)108-78/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
113383856

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)66(99)72(58(47-88)109-77)112-78-69(102)67(100)71(59(48-89)110-78)111-76-62(83-51(4)91)73(64(97)56(45-86)107-76)113-79-70(103)75(65(98)57(46-87)108-79)115-81(80(104)105)43-54(93)61(82-50(3)90)74(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
113383965

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)67(99)73(57(46-87)109-77)113-79-71(103)68(100)72(58(47-88)110-79)112-76-62(83-51(4)90)74(114-78-69(101)66(98)64(96)56(45-86)108-78)65(97)59(111-76)49-107-81(80(104)105)43-54(92)61(82-50(3)89)75(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
113384330

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)67(100)71(59(48-89)110-77)111-78-69(102)74(65(98)57(46-87)108-78)113-76-62(83-51(4)91)72(64(97)56(45-86)107-76)112-79-70(103)75(66(99)58(47-88)109-79)115-81(80(104)105)43-54(93)61(82-50(3)90)73(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
113384431

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)68(100)72(58(47-88)110-77)112-79-71(103)75(66(98)57(46-87)109-79)114-76-62(83-51(4)90)73(65(97)56(45-86)108-76)113-78-69(101)67(99)64(96)59(111-78)49-107-81(80(104)105)43-54(92)61(82-50(3)89)74(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
113384439

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)68(100)72(58(47-88)110-77)112-79-71(103)75(65(97)57(46-87)109-79)114-76-62(83-51(4)90)73(113-78-69(101)67(99)64(96)56(45-86)108-78)66(98)59(111-76)49-107-81(80(104)105)43-54(92)61(82-50(3)89)74(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
113384470

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(94)84-52(53(91)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)48-106-77-70(102)68(100)73(58(47-88)110-77)113-79-71(103)75(65(97)56(45-86)108-79)114-76-62(83-51(4)90)66(98)72(57(46-87)109-76)112-78-69(101)67(99)64(96)59(111-78)49-107-81(80(104)105)43-54(92)61(82-50(3)89)74(115-81)63(95)55(93)44-85/h19-20,39,41,52-59,61-79,85-88,91-93,95-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,89)(H,83,90)(H,84,94)(H,104,105)/b20-19-,41-39+/t52-,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-,81+/m0/s1
C81H145N3O311657.01951100
113384484

Double-bond stereo

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C81H145N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(95)84-52(53(92)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-106-77-68(101)67(100)72(59(48-89)110-77)112-78-69(102)74(64(97)56(45-86)107-78)113-76-62(83-51(4)91)66(99)71(58(47-88)109-76)111-79-70(103)75(65(98)57(46-87)108-79)115-81(80(104)105)43-54(93)61(82-50(3)90)73(114-81)63(96)55(94)44-85/h19-20,39,41,52-59,61-79,85-89,92-94,96-103H,5-18,21-38,40,42-49H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,104,105)/b20-19-,41-39+/t52-,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-,81-/m0/s1
C81H145N3O311657.01951100
12

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