2-[[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1-oxidanyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]sulfanyl]isoindole-1,3-dione

Systemtic Name: 2-[[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1-oxidanyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]sulfanyl]isoindole-1,3-dione Openeye Name: 2-[[(5S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1-hydroxy-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]sulfanyl]isoindoline-1,3-dione CAS Name: 2-[[(5S,8S,9S,10S,13R,14S,17R)-1-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]thio]isoindole-1,3-dione IUPAC Name: 2-[[(5S,8S,9S,10S,13R,14S,17R)-1-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]sulfanyl]isoindole-1,3-dione Traditional Name: 2-[[(5S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1-hydroxy-3-keto-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]thio]isoindoline-1,3-quinone Formula: C35H47NO4S MolecularWeight: 577.81698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(=C(C(=O)C4)SN5C(=O)C6=CC=CC=C6C5=O)O)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C(=C(C(=O)C4)SN5C(=O)C6=CC=CC=C6C5=O)O)C)C

InChI

InChI=1S/C35H47NO4S/c1-20(2)9-8-10-21(3)26-15-16-27-25-14-13-22-19-29(37)30(31(38)35(22,5)28(25)17-18-34(26,27)4)41-36-32(39)23-11-6-7-12-24(23)33(36)40/h6-7,11-12,20-22,25-28,38H,8-10,13-19H2,1-5H3/t21-,22+,25+,26-,27+,28+,34-,35+/m1/s1