[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(1-methyl-3-oxidanylidene-cyclobutyl)-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,13S,14S,17R)-10,13-dimethyl-17-(1-methyl-3-oxidanylidene-cyclobutyl)-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,13S,14S,17R)-10,13-dimethyl-17-(1-methyl-3-oxo-cyclobutyl)-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,13S,14S,17R)-10,13-dimethyl-17-(1-methyl-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,13S,14S,17R)-10,13-dimethyl-17-(1-methyl-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,13S,14S,17R)-17-(3-keto-1-methyl-cyclobutyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C5(CC(=O)C5)C)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]4C5(CC(=O)C5)C)C)C

InChI

InChI=1S/C26H38O3/c1-16(27)29-19-9-11-25(3)17(13-19)5-6-20-21-7-8-23(24(2)14-18(28)15-24)26(21,4)12-10-22(20)25/h5,19-23H,6-15H2,1-4H3/t19-,20-,21-,22-,23+,25-,26-/m0/s1