Chem
J-GLOBAL ID：200907017119419344   Nikkaji number：J143.977D

Acetyl ursolic acid

アセチルウルソール酸
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/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
InChI key： PHFUCJXOLZAQNH-OTMOLZNZSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (5)：
  • 3β-アセトキシウルサ-12-エン-28-酸
  • 3β-(アセチルオキシ)ウルサ-12-エン-28-酸
  • 3β-アセトキシ-5α-ウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(アセチルオキシ)-1,2,6a,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
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(acetyloxy)-1,2,6a,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 (10)：
  • 3β-(Acetyloxy)urs-12-en-28-oic acid
  • ウルソール酸アセタート
  • Ursolic acid acetate
  • 3-アセチルウルソール酸
  • 3-Acetylursolic acid
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CAS registry number： 7372-30-7
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