Chem
J-GLOBAL ID：200907075119839793   Nikkaji number：J38.484D

3-O-Acetyloleanolic acid

3-O-アセチルオレアノール酸
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： C32H50O4
Molecular formula furigana： C32-H50-O4
Molecular weight： 498.748
InChI： InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
InChI key： RIXNFYQZWDGQAE-DFHVBEEKSA-N
SMILES： CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)O)C1(C)C
Systematic name  (4)：
  • 3β-アセチルオキシオレアナ-12-エン-28-酸
  • 3β-アセトキシオレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(アセチルオキシ)-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-カルボン酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(acetyloxy)-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-carboxylic acid
Other name (14)：
  • 3-O-アセチルオレアノール酸
  • 3-O-Acetyloleanolic acid
  • アセチルオレアノール酸
  • Acetyloleanolic acid
  • 3β-Acetyloxyolean-12-en-28-oic acid
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CAS registry number： 4339-72-4
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