2-methyl-4-oxidanylidene-6-[4,4,10,13,14-pentamethyl-7,15-bis(oxidanyl)-3,11-bis(oxidanylidene)-2,5,6,7,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid

Systemtic Name: 2-methyl-4-oxidanylidene-6-[4,4,10,13,14-pentamethyl-7,15-bis(oxidanyl)-3,11-bis(oxidanylidene)-2,5,6,7,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid Openeye Name: 6-(7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxo-heptanoic acid CAS Name: 6-(7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid IUPAC Name: 6-(7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid Traditional Name: 6-(7,15-dihydroxy-3,11-diketo-4,4,10,13,14-pentamethyl-2,5,6,7,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-keto-2-methyl-enanthic acid Formula: C30H46O7 MolecularWeight: 518.68204

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC(C)C(=O)O)C1CC(C2(C1(CC(=O)C3C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C)O

Isomeric SMILES

CC(CC(=O)CC(C)C(=O)O)C1CC(C2(C1(CC(=O)C3C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C)O

InChI

InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23-25,32,35H,8-14H2,1-7H3,(H,36,37)