Chem
J-GLOBAL ID：200907026322607090   Nikkaji number：J1.451.508I

3β-Hydroxy-21β,22β-epoxyoleana-12-ene-28-oic acid

3β-ヒドロキシ-21β,22β-エポキシオレアナ-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)16-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,7)28(17,6)14-15-30(18,24(32)33)23-22(25)34-23/h8,18-23,31H,9-16H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22-,23+,27-,28+,29+,30-/m0/s1
InChI key： QHJDXZLLOGLNFJ-CHSCLRPQSA-N
SMILES： CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2([C@@H]2O[C@H]12)C(=O)O
Systematic name  (3)：
  • 3β-ヒドロキシ-21β,22β-エポキシオレアナ-12-エン-28-酸
  • (1aS,1bS,3aS,3bR,5aR,7S,9aR,9bR,11bS,13aR)-7-ヒドロキシ-3a,3b,6,6,9a,13,13-ヘプタメチル-1aH,1bH,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11bH,12H,13H,13aH-ピセノ[3,4-b]オキシレン-1b-カルボン酸
  • (1aS,1bS,3aS,3bR,5aR,7S,9aR,9bR,11bS,13aR)-7-hydroxy-3a,3b,6,6,9a,13,13-heptamethyl-1aH,1bH,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11bH,12H,13H,13aH-piceno[3,4-b]oxirene-1b-carboxylic acid
Other name (1)：
  • 3β-Hydroxy-21β,22β-epoxyoleana-12-ene-28-oic acid
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