[(8S,9S,11R,13S,14S)-11-ethenyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(8S,9S,11R,13S,14S)-11-ethenyl-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(8S,9S,11R,13S,14S)-13-methyl-17-oxo-11-vinyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(8S,9S,11R,13S,14S)-11-ethenyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8S,9S,11R,13S,14S)-11-ethenyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(8S,9S,11R,13S,14S)-17-keto-13-methyl-11-vinyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C22H26O3 MolecularWeight: 338.44004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CCC(=O)C4(CC3C=C)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)[C@@H]3[C@@H](CC2)[C@@H]4CCC(=O)[C@]4(C[C@@H]3C=C)C

InChI

InChI=1S/C22H26O3/c1-4-14-12-22(3)19(9-10-20(22)24)18-7-5-15-11-16(25-13(2)23)6-8-17(15)21(14)18/h4,6,8,11,14,18-19,21H,1,5,7,9-10,12H2,2-3H3/t14-,18-,19-,21+,22-/m0/s1