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

Systemtic Name: [(7R,8R,9S,13S,14S,16R)-16-bromanyl-7,13-dimethyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(7R,8R,9S,13S,14S,16R)-16-bromo-7,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(7R,8R,9S,13S,14S,16R)-16-bromo-7,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(7R,8R,9S,13S,14S,16R)-16-bromo-7,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(7R,8R,9S,13S,14S,16R)-16-bromo-17-keto-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2)OC(=O)C)C3C1C4CC(C(=O)C4(CC3)C)Br

Isomeric SMILES

C[C@@H]1CC2=C(C=CC(=C2)OC(=O)C)[C@@H]3[C@@H]1[C@@H]4C[C@H](C(=O)[C@]4(CC3)C)Br

InChI

InChI=1S/C21H25BrO3/c1-11-8-13-9-14(25-12(2)23)4-5-15(13)16-6-7-21(3)17(19(11)16)10-18(22)20(21)24/h4-5,9,11,16-19H,6-8,10H2,1-3H3/t11-,16-,17+,18-,19-,21+/m1/s1