4-[[(1R,3aS,9S,11aR)-9-(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butanoyl)oxy-8,8,11a-trimethyl-1-prop-1-en-2-yl-1,2,3,4,5,5a,5b,6,7,7a,9,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-3a-yl]methoxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(1R,3aS,9S,11aR)-9-(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butanoyl)oxy-8,8,11a-trimethyl-1-prop-1-en-2-yl-1,2,3,4,5,5a,5b,6,7,7a,9,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-3a-yl]methoxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1R,3aS,9S,11aR)-9-(4-hydroxy-3,3-dimethyl-4-oxo-butanoyl)oxy-1-isopropenyl-8,8,11a-trimethyl-1,2,3,4,5,5a,5b,6,7,7a,9,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-3a-yl]methoxy]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-[[(1R,3aS,9S,11aR)-9-(4-hydroxy-3,3-dimethyl-1,4-dioxobutoxy)-8,8,11a-trimethyl-1-(1-methylethenyl)-1,2,3,4,5,5a,5b,6,7,7a,9,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-3a-yl]methoxy]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[[(1R,3aS,9S,11aR)-9-(4-hydroxy-3,3-dimethyl-4-oxobutanoyl)oxy-8,8,11a-trimethyl-1-prop-1-en-2-yl-1,2,3,4,5,5a,5b,6,7,7a,9,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-3a-yl]methoxy]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-[[(1R,3aS,9S,11aR)-9-(4-hydroxy-4-keto-3,3-dimethyl-butanoyl)oxy-1-isopropenyl-8,8,11a-trimethyl-1,2,3,4,5,5a,5b,6,7,7a,9,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-3a-yl]methoxy]-4-keto-2,2-dimethyl-butyric acid Formula: C40H62O8 MolecularWeight: 670.91548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C(C3CC2)CCC5C4(CCC(C5(C)C)OC(=O)CC(C)(C)C(=O)O)C)COC(=O)CC(C)(C)C(=O)O

Isomeric SMILES

CC(=C)[C@@H]1CC[C@@]2(C1C3CCC4C(C3CC2)CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)(C)C(=O)O)C)COC(=O)CC(C)(C)C(=O)O

InChI

InChI=1S/C40H62O8/c1-23(2)24-14-18-40(22-47-31(41)20-36(3,4)34(43)44)19-15-25-26-11-13-29-38(7,8)30(48-32(42)21-37(5,6)35(45)46)16-17-39(29,9)28(26)12-10-27(25)33(24)40/h24-30,33H,1,10-22H2,2-9H3,(H,43,44)(H,45,46)/t24-,25?,26?,27?,28?,29?,30-,33?,39+,40-/m0/s1