Chem
J-GLOBAL ID：200907052685691604   Nikkaji number：J505.917H

23-Hydroxytormentic acid

23-ヒドロキシトルメント酸
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： C30H48O6
Molecular formula furigana： C30-H48-O6
Molecular weight： 504.708
InChI： InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1
InChI key： YCOKATFNRPZIIU-NIZSJLHKSA-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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O
Systematic name  (5)：
  • 2α,3β,19,23-テトラヒドロキシウルサ-12-エン-28-酸
  • (4R)-2α,3β,19,23-テトラヒドロキシウルサ-12-エン-28-酸
  • 2α,3β,19α,23-テトラヒドロキシウルサ-12-エン-28-酸
  • (1R,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-1,10,11-トリヒドロキシ-9-(ヒドロキシメチル)-1,2,6a,6b,9,12a-ヘキサメチル-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,9R,10R,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-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 (7)：
  • 23-ヒドロキシトルメント酸
  • 23-Hydroxytormentic acid
  • 2α,3β,19,23-Tetrahydroxyurs-12-en-28-oic acid
  • (4R)-2α,3β,19,23-Tetrahydroxyurs-12-ene-28-oic acid
  • 19α-ヒドロキシアシアト酸
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