(5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one

Systemtic Name: (5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one Openeye Name: (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-3-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one CAS Name: (5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one IUPAC Name: (5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one Traditional Name: (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-3-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one Formula: C29H48O2 MolecularWeight: 428.69022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(=O)C(C4)(C=C)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(CC(=O)C(C4)(C=C)O)C)C

InChI

InChI=1S/C29H48O2/c1-7-29(31)17-21-11-12-22-24-14-13-23(20(4)10-8-9-19(2)3)27(24,5)16-15-25(22)28(21,6)18-26(29)30/h7,19-25,31H,1,8-18H2,2-6H3/t20-,21+,22+,23-,24+,25+,27-,28+,29?/m1/s1