[(4S,5S,8S,9R,11S,13R,14S,17R)-4,9,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-3,7-bis(oxidanylidene)-2,4,5,6,8,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ethanoate

Systemtic Name: [(4S,5S,8S,9R,11S,13R,14S,17R)-4,9,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-3,7-bis(oxidanylidene)-2,4,5,6,8,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ethanoate Openeye Name: [(4S,5S,8S,9R,11S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,9,13,14-tetramethyl-3,7-dioxo-2,4,5,6,8,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] acetate CAS Name: acetic acid [(4S,5S,8S,9R,11S,13R,14S,17R)-4,9,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-3,7-dioxo-2,4,5,6,8,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(4S,5S,8S,9R,11S,13R,14S,17R)-4,9,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-3,7-dioxo-2,4,5,6,8,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] acetate Traditional Name: acetic acid [(4S,5S,8S,9R,11S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,7-diketo-4,9,13,14-tetramethyl-2,4,5,6,8,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C31H48O4 MolecularWeight: 484.71042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(=O)C3C4(CCC(C4(CC(C3(C2=CCC1=O)C)OC(=O)C)C)C(C)CCCC(C)C)C

Isomeric SMILES

C[C@H]1[C@@H]2CC(=O)[C@H]3[C@@]4(CC[C@@H]([C@]4(C[C@@H]([C@]3(C2=CCC1=O)C)OC(=O)C)C)[C@H](C)CCCC(C)C)C

InChI

InChI=1S/C31H48O4/c1-18(2)10-9-11-19(3)23-14-15-29(6)28-26(34)16-22-20(4)25(33)13-12-24(22)31(28,8)27(35-21(5)32)17-30(23,29)7/h12,18-20,22-23,27-28H,9-11,13-17H2,1-8H3/t19-,20+,22+,23-,27+,28+,29+,30-,31-/m1/s1