Chem
J-GLOBAL ID：200907021513176985   Nikkaji number：J38.478J

Acetyl-11-keto-β-boswellic acid

アセチル-11-ケト-β-ボスウェル酸
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： C32H48O5
Molecular formula furigana： C32-H48-O5
Molecular weight： 512.731
InChI： InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
InChI key： HMMGKOVEOFBCAU-BCDBGHSCSA-N
SMILES： C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)[C@@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2[C@H]1C
Systematic name  (5)：
  • 3α-アセトキシ-11-オキソウルサ-12-エン-24-酸
  • 3α-アセトキシ-11-オキソ-5α-ウルサ-12-エン-24-酸
  • 3α-アセトキシ-11-オキソ-19β-メチル-30-ノルオレアナ-12-エン-24-酸
  • (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-(アセチルオキシ)-4,6a,6b,8a,11,12,14b-ヘプタメチル-14-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-4-カルボン酸
  • (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
Other name (11)：
  • アセチル-11-ケト-β-ボスウェル酸
  • Acetyl-11-keto-β-boswellic acid
  • 3α-Acetoxy-11-oxours-12-en-24-oic acid
  • 3-O-アセチル-11-ケト-β-ボスウェル酸
  • 3-O-Acetyl-11-keto-β-boswellic acid
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