3,6,19-Trihydroxy-23-Oxo-12-Ursen-28-Oic Acid

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Catalog Number ACM131984822
CAS 131984-82-2
IUPAC Name (1R,2R,4aS,6aR,6aS,6bR,8R,8aR,9S,10S,12aR,14bS)-9-formyl-1,8,10-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight 502.7
Molecular Formula C30H46O6
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(C5(C)C=O)O)C)O)C)C2C1(C)O)C)C(=O)O
Inchi InChI=1S/C30H46O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,16-17,19-23,32-33,36H,8-15H2,1-6H3,(H,34,35)/t17-,19-,20-,21+,22-,23-,25-,26-,27-,28-,29-,30+/m1/s1
InChIKey NBJMEEGTJUXGLI-UHVFENMYSA-N
Purity 98%
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