[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(3-oxidanylidenecyclobutyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(3-oxidanylidenecyclobutyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(3-oxocyclobutyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(3-oxocyclobutyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(3-oxocyclobutyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13R,14S,17R)-17-(3-ketocyclobutyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C5CC(=O)C5)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C5CC(=O)C5)C)C

InChI

InChI=1S/C25H36O3/c1-15(26)28-19-8-10-24(2)17(14-19)4-5-20-22-7-6-21(16-12-18(27)13-16)25(22,3)11-9-23(20)24/h4,16,19-23H,5-14H2,1-3H3/t19-,20-,21+,22-,23-,24-,25+/m0/s1