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

Systemtic Name: (5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2R)-1-oxidanylpropan-2-yl]-4-(phenylcarbonyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (5S,8S,9S,10R,13S,14S,17R)-4-benzoyl-17-[(1R)-2-hydroxy-1-methyl-ethyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one CAS Name: (5S,8S,9S,10R,13S,14S,17R)-4-benzoyl-17-[(2R)-1-hydroxypropan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (5S,8S,9S,10R,13S,14S,17R)-4-benzoyl-17-[(2R)-1-hydroxypropan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (5S,8S,9S,10R,13S,14S,17R)-4-benzoyl-17-[(1R)-2-hydroxy-1-methyl-ethyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Formula: C29H40O3 MolecularWeight: 436.6261

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4C(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

C[C@@H](CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4C(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H40O3/c1-18(17-30)21-11-12-22-20-9-10-24-26(27(32)19-7-5-4-6-8-19)25(31)14-16-29(24,3)23(20)13-15-28(21,22)2/h4-8,18,20-24,26,30H,9-17H2,1-3H3/t18-,20-,21+,22-,23-,24-,26?,28+,29+/m0/s1