3-oxoglycyrrhetinic acid
InChI: InChI=1/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=QGWDYPREORDRIT-LPXJIFNVBO
SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O
Names:
3-Oxoglycyrrhetinate
3-oxoglycyrrhetinate
3-Oxoglycyrrhetinate
3-oxoglycyrrhetinic acid
Registries:
PubChem CID 111253
ChEBI 16404
Kegg C02943
PubChem ID 5862
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