Chem
J-GLOBAL ID：200907008970512820   Nikkaji number：J1.451.507K

3β,19-Dihydroxyursane-28-oic acid

3β,19-ジヒドロキシウルサン-28-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： C30H50O4
Molecular formula furigana： C30-H50-O4
Molecular weight： 474.726
InChI： InChI=1S/C30H50O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1
InChI key： PEMTYRITAVXZON-YIMBSOPQSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O
Systematic name  (3)：
  • 3β,19-ジヒドロキシウルサン-28-酸
  • (1R,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1,10-ジヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-ドコサヒドロピセン-4a-カルボン酸
  • (1R,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-docosahydropicene-4a-carboxylic acid
Other name (1)：
  • 3β,19-Dihydroxyursane-28-oic acid
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