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

Systemtic Name: [(3S,10R,13S)-7-bromanyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [(3S,10R,13S)-7-bromo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [(3S,10R,13S)-7-bromo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10R,13S)-7-bromo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [(3S,10R,13S)-7-bromo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C26H33BrO2 MolecularWeight: 457.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1C3C(CC2)C4(CCC(CC4=CC3Br)OC(=O)C5=CC=CC=C5)C

Isomeric SMILES

C[C@@]12CCCC1C3C(CC2)[C@]4(CC[C@@H](CC4=CC3Br)OC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H33BrO2/c1-25-12-6-9-20(25)23-21(11-13-25)26(2)14-10-19(15-18(26)16-22(23)27)29-24(28)17-7-4-3-5-8-17/h3-5,7-8,16,19-23H,6,9-15H2,1-2H3/t19-,20?,21?,22?,23?,25-,26-/m0/s1