[(9S,10S,13S,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-13-methyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate

Systemtic Name: [(9S,10S,13S,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-13-methyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(9S,10S,13S,14S,17S)-3-acetoxy-10-(acetoxymethyl)-13-methyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(9S,10S,13S,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-13-methyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(9S,10S,13S,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-13-methyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(9S,10S,13S,14S,17S)-3-acetoxy-10-(acetoxymethyl)-13-methyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C28H38O6 MolecularWeight: 470.59772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC(=CC1=CC=C3C2CCC4(C3CCC4OC(=O)C(C)(C)C)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@]12CCC(=CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C(C)(C)C)C)OC(=O)C

InChI

InChI=1S/C28H38O6/c1-17(29)32-16-28-14-11-20(33-18(2)30)15-19(28)7-8-21-22-9-10-24(34-25(31)26(3,4)5)27(22,6)13-12-23(21)28/h7-8,15,22-24H,9-14,16H2,1-6H3/t22-,23-,24-,27-,28+/m0/s1