[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-oxidanylideneheptanoate

Systemtic Name: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-oxidanylideneheptanoate Openeye Name: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-oxoheptanoate CAS Name: 2-oxoheptanoic acid [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-oxoheptanoate Traditional Name: 2-ketoenanthic acid [(3R,5S,8R,9S,10S,13S,14S)-17-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4=O)C)C

Isomeric SMILES

CCCCCC(=O)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C

InChI

InChI=1S/C26H40O4/c1-4-5-6-7-22(27)24(29)30-18-12-14-25(2)17(16-18)8-9-19-20-10-11-23(28)26(20,3)15-13-21(19)25/h17-21H,4-16H2,1-3H3/t17-,18+,19-,20-,21-,25-,26-/m0/s1