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

Systemtic Name: 2-methyl-4-oxidanylidene-6-[4,4,10,13,14-pentamethyl-3,7,15-tris(oxidanyl)-11-oxidanylidene-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid Openeye Name: 2-methyl-4-oxo-6-(3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)heptanoic acid CAS Name: 2-methyl-4-oxo-6-(3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)heptanoic acid IUPAC Name: 2-methyl-4-oxo-6-(3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)heptanoic acid Traditional Name: 4-keto-2-methyl-6-(3,7,15-trihydroxy-11-keto-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)enanthic acid Formula: C30H48O7 MolecularWeight: 520.69792

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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(C4(C)C)O)C)O)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C30H48O7/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/h15-16,18-19,21-25,32,34-35H,8-14H2,1-7H3,(H,36,37)