Chem
J-GLOBAL ID：200907034219219484   Nikkaji number：J1.333.519B

3-Oxo-29-hydroxyoleana-12-ene-28-oic acid

3-オキソ-29-ヒドロキシオレアナ-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/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,26+,27-,28+,29+,30-/m0/s1
InChI key： CZSDKFJKOMHDAG-BBDIDADBSA-N
SMILES： C[C@@]1(CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (3)：
  • 3-オキソ-29-ヒドロキシオレアナ-12-エン-28-酸
  • (2R,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-2-(ヒドロキシメチル)-2,6a,6b,9,9,12a-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
  • (2R,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-2-(hydroxymethyl)-2,6a,6b,9,9,12a-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-29-hydroxyoleana-12-ene-28-oic acid
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