(3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-4-(4-chlorophenyl)but-3-en-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

Systemtic Name: (3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-4-(4-chlorophenyl)but-3-en-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Openeye Name: (3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-3-(4-chlorophenyl)-1-methyl-allyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one CAS Name: (3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-4-(4-chlorophenyl)but-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-4-(4-chlorophenyl)but-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Traditional Name: (3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-3-(4-chlorophenyl)-1-methyl-allyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Formula: C29H39ClO2 MolecularWeight: 455.07176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=C(C=C1)Cl)C2CCC3C2(CCC4C3CC(=O)C5C4(CCC(C5)O)C)C

Isomeric SMILES

C[C@H](/C=C/C1=CC=C(C=C1)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC(=O)[C@@H]5[C@@]4(CC[C@H](C5)O)C)C

InChI

InChI=1S/C29H39ClO2/c1-18(4-5-19-6-8-20(30)9-7-19)23-10-11-24-22-17-27(32)26-16-21(31)12-14-29(26,3)25(22)13-15-28(23,24)2/h4-9,18,21-26,31H,10-17H2,1-3H3/b5-4+/t18-,21-,22+,23-,24+,25+,26-,28-,29-/m1/s1