Chem
J-GLOBAL ID：200907010515717744   Nikkaji number：J615.549I

Barbatic acid

バルバチン酸
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： C19H20O7
Molecular formula furigana： C19-H20-O7
Molecular weight： 360.362
InChI： InChI=1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23)
InChI key： NMKBRSYSHBPUPY-UHFFFAOYSA-N
SMILES： COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C
Systematic name  (3)：
  • 2-ヒドロキシ-4-[(2-ヒドロキシ-4-メトキシ-3,6-ジメチルベンゾイル)オキシ]-3,6-ジメチル安息香酸
  • 2-ヒドロキシ-4-(2-ヒドロキシ-4-メトキシ-3,6-ジメチルベンゾイルオキシ)-3,6-ジメチル安息香酸
  • 2-hydroxy-4-(2-hydroxy-4-methoxy-3,6-dimethylbenzoyloxy)-3,6-dimethylbenzoic acid
Other name (4)：
  • バルバチン酸
  • Barbatic acid
  • 2-Hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoic acid
  • バルバト酸
CAS registry number： 17636-16-7
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