4-[[(1R,3aS,9S,11aR)-8,8,11a-trimethyl-9-oxidanyl-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]-3,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(1R,3aS,9S,11aR)-8,8,11a-trimethyl-9-oxidanyl-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]-3,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1R,3aS,9S,11aR)-9-hydroxy-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]-3,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[[(1R,3aS,9S,11aR)-9-hydroxy-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]-3,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[[(1R,3aS,9S,11aR)-9-hydroxy-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]-3,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[[(1R,3aS,9S,11aR)-9-hydroxy-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-3,3-dimethyl-butyric acid Formula: C34H54O5 MolecularWeight: 542.78956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54O5/c1-20(2)21-12-16-34(19-39-30(38)31(3,4)18-28(36)37)17-13-22-23-9-11-26-32(5,6)27(35)14-15-33(26,7)25(23)10-8-24(22)29(21)34/h21-27,29,35H,1,8-19H2,2-7H3,(H,36,37)/t21-,22?,23?,24?,25?,26?,27-,29?,33+,34-/m0/s1