Chem
J-GLOBAL ID:200907000083754630   Nikkaji number:J1.370.787A

3-O-Acetyl-11-methoxy-β-boswellic acid

3-O-アセチル-11-メトキシ-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: C33H52O5
Molecular formula furigana: C33-H52-O5
Molecular weight: 528.774
InChI: InChI=1S/C33H52O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(37-9)27-30(5)14-12-25(38-21(3)34)33(8,28(35)36)24(30)11-15-32(27,31)7/h18-20,23-27H,10-17H2,1-9H3,(H,35,36)/t19-,20+,23?,24-,25-,26+,27-,29-,30+,31-,32-,33-/m1/s1
InChI key: UGDPGYPVLYJZKD-WPDPHBTLSA-N
SMILES: COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@@H](OC(=O)C)[C@]3(C)C(=O)O)[C@@H]12
Systematic name  (4):
  • 3α-アセトキシ-11-メトキシウルサ-12-エン-24-酸
  • 3α-アセトキシ-11-メトキシ-5α-ウルサ-12-エン-24-酸
  • (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-(アセチルオキシ)-14-メトキシ-4,6a,6b,8a,11,12,14b-ヘプタメチル-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)-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-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 (4):
  • 3α-Acetoxy-11-methoxyurs-12-ene-24-oic acid
  • 3α-Acetoxy-11-methoxy-5α-urs-12-ene-24-oic acid
  • 3-O-Acetyl-11-methoxy-β-boswellic acid
  • 3-O-アセチル-11-メトキシ-β-ボスウェル酸
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