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

Systemtic Name: bis[(10R,13S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] butanedioate Openeye Name: bis[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] butanedioate CAS Name: butanedioic acid bis[(10R,13S,17S)-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: bis[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] butanedioate Traditional Name: succinic acid bis[(10R,13S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C42H58O6 MolecularWeight: 658.90632

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)CCC(=O)OC4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C)CCC8=CC(=O)CCC38C

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2OC(=O)CCC(=O)O[C@H]4CCC5[C@@]4(CCC6C5CCC7=CC(=O)CC[C@]67C)C)CCC8=CC(=O)CC[C@]38C

InChI

InChI=1S/C42H58O6/c1-39-19-15-27(43)23-25(39)5-7-29-31-9-11-35(41(31,3)21-17-33(29)39)47-37(45)13-14-38(46)48-36-12-10-32-30-8-6-26-24-28(44)16-20-40(26,2)34(30)18-22-42(32,36)4/h23-24,29-36H,5-22H2,1-4H3/t29?,30?,31?,32?,33?,34?,35-,36-,39-,40-,41-,42-/m0/s1