[(9S,10S,13S,17S)-17-ethyl-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-2,9,11,12,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate

Systemtic Name: [(9S,10S,13S,17S)-17-ethyl-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-2,9,11,12,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(9S,10S,13S,17S)-17-ethyl-10-(hydroxymethyl)-13-methyl-3-oxo-2,9,11,12,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(9S,10S,13S,17S)-17-ethyl-10-(hydroxymethyl)-13-methyl-3-oxo-2,9,11,12,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(9S,10S,13S,17S)-17-ethyl-10-(hydroxymethyl)-13-methyl-3-oxo-2,9,11,12,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(9S,10S,13S,17S)-17-ethyl-3-keto-13-methyl-10-methylol-2,9,11,12,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C26H36O4 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2=C3C=CC4=CC(=O)CCC4(C3CCC21C)CO)OC(=O)C(C)(C)C

Isomeric SMILES

CC[C@@]1(CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]21C)CO)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H36O4/c1-6-26(30-22(29)23(2,3)4)14-11-20-19-8-7-17-15-18(28)9-13-25(17,16-27)21(19)10-12-24(20,26)5/h7-8,15,21,27H,6,9-14,16H2,1-5H3/t21-,24-,25+,26-/m0/s1