[(9S,10S,13S,14S,17S)-3-acetyloxy-10-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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-13-methyl-10-methylol-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C26H36O5 MolecularWeight: 428.56104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=CC=C3C4CCC(C4(CCC3C2(CC1)CO)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC2=CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC1)CO)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H36O5/c1-16(28)30-18-10-13-26(15-27)17(14-18)6-7-19-20-8-9-22(31-23(29)24(2,3)4)25(20,5)12-11-21(19)26/h6-7,14,20-22,27H,8-13,15H2,1-5H3/t20-,21-,22-,25-,26+/m0/s1