methyl 3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate

Systemtic Name: methyl 3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate Openeye Name: methyl 3,7-diacetoxy-10,13-dimethyl-17-(1-methylbutyl)-12-methylsulfonyloxy-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate CAS Name: 3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid methyl ester IUPAC Name: methyl 3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate Traditional Name: 3,7-diacetoxy-10,13-dimethyl-17-(1-methylbutyl)-12-methylsulfonyloxy-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid methyl ester Formula: C31H50O9S MolecularWeight: 598.7883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCC2C1(C(CC3C2C(CC4(C3(CCC(C4)OC(=O)C)C)C(=O)OC)OC(=O)C)OS(=O)(=O)C)C

Isomeric SMILES

CCCC(C)C1CCC2C1(C(CC3C2C(CC4(C3(CCC(C4)OC(=O)C)C)C(=O)OC)OC(=O)C)OS(=O)(=O)C)C

InChI

InChI=1S/C31H50O9S/c1-9-10-18(2)22-11-12-23-27-24(15-26(30(22,23)6)40-41(8,35)36)29(5)14-13-21(38-19(3)32)16-31(29,28(34)37-7)17-25(27)39-20(4)33/h18,21-27H,9-17H2,1-8H3