4-[10,13-dimethyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]oxy-7,12-bis(oxidanyl)-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-[10,13-dimethyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]oxy-7,12-bis(oxidanyl)-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-[4-(2-tert-butoxy-2-oxo-ethoxy)-4-oxo-butanoyl]oxy-7,12-dihydroxy-10,13-dimethyl-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-[7,12-dihydroxy-10,13-dimethyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1,4-dioxobutoxy]-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-[7,12-dihydroxy-10,13-dimethyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxobutanoyl]oxy-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-[4-(2-tert-butoxy-2-keto-ethoxy)-4-keto-butanoyl]oxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid Formula: C34H54O10 MolecularWeight: 622.78656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54O10/c1-19(7-10-27(37)38)22-8-9-23-31-24(17-26(36)34(22,23)6)33(5)14-13-21(15-20(33)16-25(31)35)43-29(40)12-11-28(39)42-18-30(41)44-32(2,3)4/h19-26,31,35-36H,7-18H2,1-6H3,(H,37,38)