[(9S,10S,13S,14S,17S)-10-(acetyloxymethyl)-13-methyl-3-oxidanylidene-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate

Systemtic Name: [(9S,10S,13S,14S,17S)-10-(acetyloxymethyl)-13-methyl-3-oxidanylidene-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(9S,10S,13S,14S,17S)-10-(acetoxymethyl)-13-methyl-3-oxo-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(9S,10S,13S,14S,17S)-10-(acetyloxymethyl)-13-methyl-3-oxo-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(9S,10S,13S,14S,17S)-10-(acetyloxymethyl)-13-methyl-3-oxo-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(9S,10S,13S,14S,17S)-10-(acetoxymethyl)-3-keto-13-methyl-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C26H36O5 MolecularWeight: 428.56104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC(=O)C=C1CC=C3C2CCC4(C3CCC4OC(=O)C(C)(C)C)C

Isomeric SMILES

CC(=O)OC[C@]12CCC(=O)C=C1CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C(C)(C)C)C

InChI

InChI=1S/C26H36O5/c1-16(27)30-15-26-13-10-18(28)14-17(26)6-7-19-20-8-9-22(31-23(29)24(2,3)4)25(20,5)12-11-21(19)26/h7,14,20-22H,6,8-13,15H2,1-5H3/t20-,21-,22-,25-,26+/m0/s1