Chem
J-GLOBAL ID：200907033129542697   Nikkaji number：J38.666I

Oleanonic acid

オレアノン酸
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： C30H46O3
Molecular formula furigana： C30-H46-O3
Molecular weight： 454.695
InChI： InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
InChI key： FMIMFCRXYXVFTA-FUAOEXFOSA-N
SMILES： CC1(C)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  (5)：
  • 3-オキソオレアナ-12-エン-28-酸
  • 3-オキソ-5α-オレアナ-12-エン-28-酸
  • 3β-オキソオレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-ヘプタメチル-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
  • (4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-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 (9)：
  • オレアノン酸
  • Oleanonic acid
  • 3-Oxo-5α-olean-12-en-28-oic acid
  • 3-ケトオレアノール酸
  • 3-Ketooleanolic acid
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CAS registry number： 17990-42-0
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