dimethyl (8S,9R,13S,14S,17S)-13-(4-bromophenyl)-17-ethenyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylate

Systemtic Name: dimethyl (8S,9R,13S,14S,17S)-13-(4-bromophenyl)-17-ethenyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylate Openeye Name: dimethyl (8S,9R,13S,14S,17S)-13-(4-bromophenyl)-17-vinyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylate CAS Name: (8S,9R,13S,14S,17S)-13-(4-bromophenyl)-17-ethenyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (8S,9R,13S,14S,17S)-13-(4-bromophenyl)-17-ethenyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylate Traditional Name: (8S,9R,13S,14S,17S)-13-(4-bromophenyl)-17-vinyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylic acid dimethyl ester Formula: C29H31BrO4 MolecularWeight: 523.45804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2(C(CCC2C3C1C4=CC=CC=C4CC3)C=C)C5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@]2([C@@H](CC[C@H]2[C@H]3[C@@H]1C4=CC=CC=C4CC3)C=C)C5=CC=C(C=C5)Br)C(=O)OC

InChI

InChI=1S/C29H31BrO4/c1-4-19-12-16-24-23-15-9-18-7-5-6-8-22(18)25(23)29(26(31)33-2,27(32)34-3)17-28(19,24)20-10-13-21(30)14-11-20/h4-8,10-11,13-14,19,23-25H,1,9,12,15-17H2,2-3H3/t19-,23+,24+,25+,28-/m1/s1