Chem
J-GLOBAL ID：200907029795474410   Nikkaji number：J2.420.539H

11-Oxoursolic acid acetate

11-オキソウルソール酸アセタート
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： C32H48O5
Molecular formula furigana： C32-H48-O5
Molecular weight： 512.731
InChI： InChI=1S/C32H48O5/c1-18-9-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)17-22(34)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23+,24+,25+,26-,29+,30-,31-,32+/m1/s1
InChI key： XDHCWTUZCOFKRH-CIKBGXLUSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[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  (3)：
  • 3β-アセトキシ-11-オキソウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-(アセチルオキシ)-1,2,6a,6b,9,9,12a-ヘプタメチル-13-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
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-13-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 (3)：
  • 3β-Acetoxy-11-oxours-12-ene-28-oic acid
  • 11-オキソウルソール酸アセタート
  • 11-Oxoursolic acid acetate
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