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

Systemtic Name: [(9S,10S,13S,17S)-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(9S,10S,13S,17S)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(9S,10S,13S,17S)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(9S,10S,13S,17S)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(9S,10S,13S,17S)-3-keto-13-methyl-10-methylol-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C24H32O4 MolecularWeight: 384.50848

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(=C1CCC2OC(=O)C(C)(C)C)C=CC4=CC(=O)CCC34CO

Isomeric SMILES

C[C@]12CC[C@H]3C(=C1CC[C@@H]2OC(=O)C(C)(C)C)C=CC4=CC(=O)CC[C@]34CO

InChI

InChI=1S/C24H32O4/c1-22(2,3)21(27)28-20-8-7-18-17-6-5-15-13-16(26)9-12-24(15,14-25)19(17)10-11-23(18,20)4/h5-6,13,19-20,25H,7-12,14H2,1-4H3/t19-,20-,23-,24+/m0/s1