[(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] benzoate

Systemtic Name: [(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] benzoate Openeye Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] benzoate CAS Name: benzoic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] benzoate Traditional Name: benzoic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CC(C3C2C=CC4=CC(=O)CCC34C)OC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)OC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H32O4/c1-17(29)22-11-12-23-21-10-9-19-15-20(30)13-14-27(19,2)25(21)24(16-28(22,23)3)32-26(31)18-7-5-4-6-8-18/h4-10,15,21-25H,11-14,16H2,1-3H3/t21-,22+,23-,24-,25-,27+,28+/m0/s1