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

Systemtic Name: dimethyl (8R,9S,13R,14S,17S)-17-ethenyl-13-oxidanyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylate Openeye Name: dimethyl (8R,9S,13R,14S,17S)-13-hydroxy-17-vinyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylate CAS Name: (8R,9S,13R,14S,17S)-17-ethenyl-13-hydroxy-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (8R,9S,13R,14S,17S)-17-ethenyl-13-hydroxy-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylate Traditional Name: (8R,9S,13R,14S,17S)-13-hydroxy-17-vinyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-11,11-dicarboxylic acid dimethyl ester Formula: C23H28O5 MolecularWeight: 384.46542

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H28O5/c1-4-15-10-12-18-17-11-9-14-7-5-6-8-16(14)19(17)22(20(24)27-2,21(25)28-3)13-23(15,18)26/h4-8,15,17-19,26H,1,9-13H2,2-3H3/t15-,17+,18+,19-,23-/m1/s1