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

Systemtic Name: [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] heptanoate Openeye Name: [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] heptanoate CAS Name: heptanoic acid [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] ester IUPAC Name: [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] heptanoate Traditional Name: enanthic acid [(6R,8R,9S,10R,13S,14S)-3,17-diketo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] ester Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1CC2C3CCC(=O)C3(CCC2C4(C1=CC(=O)CC4)C)C

Isomeric SMILES

CCCCCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C

InChI

InChI=1S/C26H38O4/c1-4-5-6-7-8-24(29)30-22-16-18-19-9-10-23(28)26(19,3)14-12-20(18)25(2)13-11-17(27)15-21(22)25/h15,18-20,22H,4-14,16H2,1-3H3/t18-,19-,20-,22+,25+,26-/m0/s1