Chem
J-GLOBAL ID：200907004062079490   Nikkaji number：J203.120E

Methyl oleanolate

オレアノール酸メチル
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： C31H50O3
Molecular formula furigana： C31-H50-O3
Molecular weight： 470.738
InChI： InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
InChI key： BTXWOKJOAGWCSN-JBYJGCOVSA-N
SMILES： COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3)：
  • 3β-ヒドロキシオレアナ-12-エン-28-酸メチル
  • メチル (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-2,2,6a,6b,9,9,12a-ヘプタメチル-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-カルボキシラート
  • methyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3)：
  • 3β-Hydroxyolean-12-en-28-oic acid methyl ester
  • オレアノール酸メチル
  • Methyl oleanolate
CAS registry number： 1724-17-0
Regulation number (2)：
  • EINECS2170291
  • 7-(1)-814
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