Chem
J-GLOBAL ID：200907039177714945   Nikkaji number：J126.640C

18α-Hydroxyglycyrrhetic acid

18α-ヒドロキシグリシルレチン酸
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： C30H46O5
Molecular formula furigana： C30-H46-O5
Molecular weight： 486.693
InChI： InChI=1S/C30H46O5/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3,23(33)34)17-30(20,26)35/h16,19,21-22,32,35H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,25-,26+,27-,28+,29+,30-/m0/s1
InChI key： FCVHQYZUEPQNJU-FLXZDBSJSA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C[C@]21O)C(=O)O
Systematic name  (3)：
  • 3β,18α-ジヒドロキシ-11-オキソオレアナ-12-エン-30-酸
  • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10,14b-ジヒドロキシ-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,10S,12aS,12bR,14bR)-10,14b-dihydroxy-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 (5)：
  • 18α-ヒドロキシグリシルレチン酸
  • 18α-Hydroxyglycyrrhetic acid
  • 3β,18α-Dihydroxy-11-oxoolean-12-en-30-oic acid
  • 18α-ヒドロキシグリチルレチン酸
  • 18α-Hydroxyglycyrrhetinic acid
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