Chem
J-GLOBAL ID：200907072885884947   Nikkaji number：J126.654C

Tormentic acid

トルメント酸
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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
InChI key： OXVUXGFZHDKYLS-BLIWDXROSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O
Systematic name  (5)：
  • 2α,3β,19-トリヒドロキシウルサ-12-エン-28-酸
  • 2α,3β,19α-トリヒドロキシウルサ-12-エン-28-酸
  • 2α,3β,19α-トリヒドロキシ-19-メチル-30-ノルオレアナ-12-エン-28-酸
  • (1R,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-1,10,11-トリヒドロキシ-1,2,6a,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
  • (1R,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-1,2,6a,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 (8)：
  • Tormentic acid
  • トルメント酸
  • 2,19-ジヒドロキシウルソール酸
  • 2,19-Dihydroxyursolic acid
  • 2α,3β,19α-Trihydroxyurs-12-en-28-oic acid
Show all
CAS registry number： 13850-16-3
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