[(1S)-1-[(3S,9S,10S,13R,17S)-10-(hydroxymethyl)-13-methyl-3-oxidanyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate

Systemtic Name: [(1S)-1-[(3S,9S,10S,13R,17S)-10-(hydroxymethyl)-13-methyl-3-oxidanyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate Openeye Name: [(1S)-1-[(3S,9S,10S,13R,17S)-3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S)-1-[(3S,9S,10S,13R,17S)-3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ester IUPAC Name: [(1S)-1-[(3S,9S,10S,13R,17S)-3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S)-1-[(3S,9S,10S,13R,17S)-3-hydroxy-13-methyl-10-methylol-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O4/c1-16(30-23(29)24(2,3)4)20-8-9-21-19-7-6-17-14-18(28)10-13-26(17,15-27)22(19)11-12-25(20,21)5/h6-7,14,16,18,20,22,27-28H,8-13,15H2,1-5H3/t16-,18-,20+,22-,25+,26+/m0/s1