Chem
J-GLOBAL ID：200907076684690961   Nikkaji number：J1.523.381H

3-Oxo-19,24-dihydroxyurs-12-ene-28-oic acid

3-オキソ-19,24-ジヒドロキシウルサ-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： C30H46O5
Molecular formula furigana： C30-H46-O5
Molecular weight： 486.693
InChI： InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-21,23,31,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,23-,25+,26-,27-,28-,29-,30+/m1/s1
InChI key： DICFMPCEXYENLE-OGHVSZAPSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O
Systematic name  (3)：
  • 3-オキソ-19,24-ジヒドロキシウルサ-12-エン-28-酸
  • (1R,2R,4aS,6aS,6bR,8aR,9S,12aR,12bR,14bS)-1-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-10-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
  • (1R,2R,4aS,6aS,6bR,8aR,9S,12aR,12bR,14bS)-1-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-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 (1)：
  • 3-Oxo-19,24-dihydroxyurs-12-ene-28-oic acid
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