[(8R,9S,10R,13S,14S,17S)-4-bromanyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate

Systemtic Name: [(8R,9S,10R,13S,14S,17S)-4-bromanyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate Openeye Name: [(8R,9S,10R,13S,14S,17S)-4-bromo-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate CAS Name: benzoic acid [(8R,9S,10R,13S,14S,17S)-4-bromo-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17S)-4-bromo-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate Traditional Name: benzoic acid [(8R,9S,10R,13S,14S,17S)-4-bromo-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C26H31BrO3 MolecularWeight: 471.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)C4=CC=CC=C4)CCC5=C(C(=O)CCC35C)Br

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=C(C(=O)CC[C@]35C)Br

InChI

InChI=1S/C26H31BrO3/c1-25-15-13-21(28)23(27)20(25)9-8-17-18-10-11-22(26(18,2)14-12-19(17)25)30-24(29)16-6-4-3-5-7-16/h3-7,17-19,22H,8-15H2,1-2H3/t17-,18-,19-,22-,25+,26-/m0/s1