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Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 15 results

Search term: MF = 'C_{70}H_{92}ClN_{17}O_{14}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10482082

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1
C70H92ClN17O141431.038666301
10625810

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)
C70H92ClN17O141431.038424100
16743718

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54-,55+,56-,57-,58?/m1/s1
C70H92ClN17O141431.0382200
17326027

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-4-5-15-50(61(94)83-52(17-10-30-77-69(73)74)68(101)88-32-11-18-58(88)67(100)79-40(2)59(72)92)81-60(93)51(16-9-31-78-70(75)102)82-63(96)54(35-43-22-27-49(91)28-23-43)86-66(99)57(39-89)87-65(98)56(37-45-12-8-29-76-38-45)85-64(97)55(34-42-20-25-48(71)26-21-42)84-62(95)53(80-41(3)90)36-44-19-24-46-13-6-7-14-47(46)33-44/h6-8,12-14,19-29,33,38,40,50-58,89,91H,4-5,9-11,15-18,30-32,34-37,39H2,1-3H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,93)(H,82,96)(H,83,94)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50+,51-,52+,53-,54+,55-,56-,57+,58+/m1/s1
C70H92ClN17O141431.0382200
17326031

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(58(72)92)79-65(99)56-17-11-31-88(56)67(101)50(16-10-29-77-68(73)74)82-66(100)57(70(3,4)5)87-59(93)49(15-9-30-78-69(75)102)81-61(95)52(34-42-21-26-48(91)27-22-42)85-64(98)55(38-89)86-63(97)54(36-44-12-8-28-76-37-44)84-62(96)53(33-41-19-24-47(71)25-20-41)83-60(94)51(80-40(2)90)35-43-18-23-45-13-6-7-14-46(45)32-43/h6-8,12-14,18-28,32,37,39,49-57,89,91H,9-11,15-17,29-31,33-36,38H2,1-5H3,(H2,72,92)(H,79,99)(H,80,90)(H,81,95)(H,82,100)(H,83,94)(H,84,96)(H,85,98)(H,86,97)(H,87,93)(H4,73,74,77)(H3,75,78,102)/t39-,49-,50+,51-,52+,53-,54-,55+,56+,57-/m1/s1
C70H92ClN17O141431.0382200
23212730

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51-,52-,53+,54-,55-,56+,57-,58+/m0/s1
C70H92ClN17O141431.0382200
23239905

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51-,52-,53-,54-,55-,56-,57-,58+/m0/s1
C70H92ClN17O141431.0382200
27472956

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51-,52+,53-,54-,55+,56+,57+,58+/m1/s1
C70H92ClN17O141431.0382100
95637305

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39,50,56,58,63-64,68,81,85,89,91-92,94-97,99,101H,8-10,14-16,28-31,33-36,38,72H2,1-4H3,(H,79,100)(H,80,90)(H,83,93)(H,87,98)(H4,73,74,77)(H3,75,78,102)
C70H92ClN17O141431.0381100
95641621

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39,54-55,58,61-62,66,82,84,86,89-95,98-99,101H,4,8-10,14-16,28-31,33-36,38,72H2,1-3H3,(H,79,100)(H,81,96)(H,85,97)(H4,73,74,77)(H3,75,78,102)/b59-40u,60-50u,65-56u,68-51u,80-53u,83-52+,87-57u
C70H92ClN17O141431.0381100
95693756

Double-bond stereo
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39,79-87,89-101H,4,8-10,14-16,28-31,33-36,38,72H2,1-3H3,(H4,73,74,77)(H3,75,78,102)
C70H92ClN17O141431.0381100
111309575

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m0/s1
C70H92ClN17O141431.0381100
17291733

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)32-52(61(94)82-51(18-10-29-77-69(73)74)68(101)88-31-11-19-58(88)67(100)79-40(3)59(72)92)83-60(93)50(17-9-30-78-70(75)102)81-62(95)53(34-43-22-26-48(91)27-23-43)86-66(99)57(38-89)87-64(97)55(35-44-12-8-28-76-37-44)85-63(96)54(33-42-20-24-47(71)25-21-42)84-65(98)56(80-41(4)90)36-46-15-7-14-45-13-5-6-16-49(45)46/h5-8,12-16,20-28,37,39-40,50-58,89,91H,9-11,17-19,29-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,95)(H,82,94)(H,83,93)(H,84,98)(H,85,96)(H,86,99)(H,87,97)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53+,54-,55-,56-,57+,58+/m1/s1
C70H92ClN17O141431.0381100
17293282

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55+,56-,57+,58+/m1/s1
C70H92ClN17O141431.0381100

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