Chem
J-GLOBAL ID：200907033296575114   Nikkaji number：J14.013I

Echinocystic acid

エキノシスト酸
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
InChI key： YKOPWPOFWMYZJZ-PRIAQAIDSA-N
SMILES： CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (4)：
  • 3β,16α-ジヒドロキシオレアナ-12-エン-28-酸
  • 3β,16α-ジヒドロキシ-5α-オレアナ-12-エン-28-酸
  • (4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-ジヒドロキシ-2,2,6a,6b,9,9,12a-ヘプタメチル-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-4a-カルボン酸
  • (4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (4)：
  • エキノシスト酸
  • Echinocystic acid
  • 3β,16α-Dihydroxyolean-12-en-28-oic acid
  • 3β,16α-Dihydroxy-5α-oleana-12-ene-28-oic acid
CAS registry number： 510-30-5
Regulation number (1)：
  • EINECS2081123
KEGG COMPOUND： C08942
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