Chem
J-GLOBAL ID：200907031676866623   Nikkaji number：J227.340C

3-ketoglycyrrhetinic acid

3-ケトグリシルレチン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H44O4
Molecular formula furigana： C30-H44-O4
Molecular weight： 468.678
InChI： InChI=1S/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
InChI key： QGWDYPREORDRIT-LPXJIFNVSA-N
SMILES： CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)[C@@]2(C)CCC1=O
Systematic name  (6)：
  • 3,11-ジオキソオレアナ-12-エン-30-酸
  • (18β)-3,11-ジオキソオレアナ-12-エン-30-酸
  • (20S)-3,11-ジオキソ-5α-オレアナ-12-エン-29-酸
  • (20S)-3,11-ジオキソオレアナ-12-エン-30-酸
  • (2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-ヘプタメチル-10,13-ジオキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-2-カルボン酸
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Other name (8)：
  • (20S)-3,11-Dioxoolean-12-en-30-oic acid
  • 3-ケト-18β-グリシルレチン酸
  • 3-Keto-18β-glycyrrhetic acid
  • 3-ケトグリシルレチン酸
  • 3-ketoglycyrrhetinic acid
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CAS registry number： 7020-50-0
Regulation number (1)：
  • EINECS2302995
KEGG COMPOUND： C02943
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