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

Systemtic Name: [(1S)-1-[(9S,10S,13R,17S)-10-(hydroxymethyl)-13-methyl-9,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate Openeye Name: [(1S)-1-[(9S,10S,13R,17S)-10-(hydroxymethyl)-13-methyl-9,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S)-1-[(9S,10S,13R,17S)-10-(hydroxymethyl)-13-methyl-9,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ester IUPAC Name: [(1S)-1-[(9S,10S,13R,17S)-10-(hydroxymethyl)-13-methyl-9,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S)-1-[(9S,10S,13R,17S)-13-methyl-10-methylol-9,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C26H36O3 MolecularWeight: 396.56224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2=C3C=CC4=CC=CCC4(C3CCC12C)CO)OC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H]([C@H]1CCC2=C3C=CC4=CC=CC[C@@]4([C@H]3CC[C@]12C)CO)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H36O3/c1-17(29-23(28)24(2,3)4)20-11-12-21-19-10-9-18-8-6-7-14-26(18,16-27)22(19)13-15-25(20,21)5/h6-10,17,20,22,27H,11-16H2,1-5H3/t17-,20+,22-,25+,26+/m0/s1