[7-methoxy-10,13-dimethyl-12-oxidanyl-17-(5-oxidanylidenehexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-oxidanylidenehexanoate

Systemtic Name: [7-methoxy-10,13-dimethyl-12-oxidanyl-17-(5-oxidanylidenehexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-oxidanylidenehexanoate Openeye Name: [12-hydroxy-7-methoxy-10,13-dimethyl-17-(1-methyl-4-oxo-pentyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-oxohexanoate CAS Name: 5-oxohexanoic acid [12-hydroxy-7-methoxy-10,13-dimethyl-17-(5-oxohexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [12-hydroxy-7-methoxy-10,13-dimethyl-17-(5-oxohexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [12-hydroxy-17-(4-keto-1-methyl-pentyl)-7-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C32H52O6 MolecularWeight: 532.75168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H52O6/c1-19(10-11-21(3)34)24-12-13-25-30-26(18-28(35)32(24,25)5)31(4)15-14-23(16-22(31)17-27(30)37-6)38-29(36)9-7-8-20(2)33/h19,22-28,30,35H,7-18H2,1-6H3