[(5S,6R,8S,9S,10R,13R,14S,17R)-2-deuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] 2,2-dimethylpropanoate

Systemtic Name: [(5S,6R,8S,9S,10R,13R,14S,17R)-2-deuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] 2,2-dimethylpropanoate Openeye Name: [(5S,6R,8S,9S,10R,13R,14S,17R)-2-deuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(5S,6R,8S,9S,10R,13R,14S,17R)-2-deuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] ester IUPAC Name: [(5S,6R,8S,9S,10R,13R,14S,17R)-2-deuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(5S,6R,8S,9S,10R,13R,14S,17R)-2-deuterio-17-[(1R)-1,5-dimethylhexyl]-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] ester Formula: C32H54O3 MolecularWeight: 487.775522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(=O)C4)C)OC(=O)C(C)(C)C)C

Isomeric SMILES

[2H]C1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@H]([C@H]2CC1=O)OC(=O)C(C)(C)C)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C32H54O3/c1-20(2)10-9-11-21(3)24-12-13-25-23-19-28(35-29(34)30(4,5)6)27-18-22(33)14-16-32(27,8)26(23)15-17-31(24,25)7/h20-21,23-28H,9-19H2,1-8H3/t21-,23+,24-,25+,26+,27-,28-,31-,32-/m1/s1/i14D/t14?,21-,23+,24-,25+,26+,27-,28-,31-,32-