Chem
J-GLOBAL ID：200907024744204158   Nikkaji number：J462.770I

3-epi-Glycyrrhetic acid

3-エピグリシルレチン酸
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： C30H46O4
Molecular formula furigana： C30-H46-O4
Molecular weight： 470.694
InChI： InChI=1S/C30H46O4/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/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,23+,26+,27-,28-,29+,30+/m0/s1
InChI key： MPDGHEJMBKOTSU-GBWCSKBLSA-N
SMILES： CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)O
Systematic name  (5)：
  • (18β)-3α-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸
  • 3α-ヒドロキシ-11-オキソオレアナ-12-エン-30-酸
  • (20S)-3α-ヒドロキシ-11-オキソ-5α-オレアナ-12-エン-29-酸
  • (2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-10-ヒドロキシ-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-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
  • (2S,4aS,6aS,6bR,8aR,10R,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other name (10)：
  • 3-epi-グリシルレチン酸
  • 3-epi-Glycyrrhetinic acid
  • 3-epi-Glycyrrhetic acid
  • 3-エピグリシルレチン酸
  • 3-Epiglycyrrhetinic acid
Show all
KEGG COMPOUND： C03930
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