Chem
J-GLOBAL ID：200907035446526624   Nikkaji number：J348.340A

3β-Hydroxy-11-oxours-12-en-28-oic acid

11-オキソ-3β-ヒドロキシウルサ-12-エン-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： C30H46O4
Molecular formula furigana： C30-H46-O4
Molecular weight： 470.694
InChI： InChI=1S/C30H46O4/c1-17-8-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)16-20(31)24-27(5)11-10-22(32)26(3,4)21(27)9-12-29(24,28)7/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21+,22+,23+,24-,27+,28-,29-,30+/m1/s1
InChI key： MDQJVSLVPQYJLP-HUWCOUCRSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (4)：
  • 3β-ヒドロキシ-11-オキソウルサ-12-エン-28-酸
  • 11-オキソ-3β-ヒドロキシウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-ヒドロキシ-1,2,6a,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-4a-カルボン酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-hydroxy-1,2,6a,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-4a-carboxylic acid
Other name (2)：
  • 3β-Hydroxy-11-oxours-12-en-28-oic acid
  • 11-Oxo-3β-hydroxyurs-12-ene-28-oic acid
Thsaurus map：
Thesaurus Map

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