4-(3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Systemtic Name: 4-(3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid Openeye Name: 4-(3,7-diacetoxy-10,13-dimethyl-12-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid CAS Name: 4-(3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid IUPAC Name: 4-(3,7-diacetyloxy-10,13-dimethyl-12-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid Traditional Name: 4-(3,7-diacetoxy-10,13-dimethyl-12-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid Formula: C29H46O9S MolecularWeight: 570.73514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)OS(=O)(=O)C)C

Isomeric SMILES

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)OS(=O)(=O)C)C

InChI

InChI=1S/C29H46O9S/c1-16(7-10-26(32)33)21-8-9-22-27-23(15-25(29(21,22)5)38-39(6,34)35)28(4)12-11-20(36-17(2)30)13-19(28)14-24(27)37-18(3)31/h16,19-25,27H,7-15H2,1-6H3,(H,32,33)