3-Oxo-Olean-12-En-28-Oic Acid Methyl Ester

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Catalog Number ACM1721580-1
CAS 1721-58-0
Structure {[CurrentData.Name]}
IUPAC Name methyl (4aS,6aS,6bR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Molecular Weight 468.7
Molecular Formula C31H48O3
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)OC)C
Inchi InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22?,23?,28-,29+,30+,31-/m0/s1
InChIKey PPMUFCXCVKVCSV-OTMBHSHCSA-N
Purity 98%
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