Chem
J-GLOBAL ID：200907092787280074   Nikkaji number：J94.606K

4-O-Demethylbarbatic acid

4-O-デメチルバルバチン酸
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： C18H18O7
Molecular formula furigana： C18-H18-O7
Molecular weight： 346.335
InChI： InChI=1S/C18H18O7/c1-7-5-11(19)9(3)15(20)14(7)18(24)25-12-6-8(2)13(17(22)23)16(21)10(12)4/h5-6,19-21H,1-4H3,(H,22,23)
InChI key： COUKTHZXLGYKPK-UHFFFAOYSA-N
SMILES： Cc1cc(O)c(C)c(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1C
Systematic name  (4)：
  • 2-ヒドロキシ-3,6-ジメチル-4-(2,4-ジヒドロキシ-3,6-ジメチルベンゾイルオキシ)安息香酸
  • 2-ヒドロキシ-4-[(2,4-ジヒドロキシ-3,6-ジメチルベンゾイル)オキシ]-3,6-ジメチル安息香酸
  • 4-(2,4-ジヒドロキシ-3,6-ジメチルベンゾイルオキシ)-2-ヒドロキシ-3,6-ジメチル安息香酸
  • 4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid
Other name (5)：
  • 4-O-デメチルバルバチン酸
  • 4-O-Demethylbarbatic acid
  • 2-Hydroxy-4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoic acid
  • 2-Hydroxy-3,6-dimethyl-4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)benzoic acid
  • 4-(2,4-Dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid
CAS registry number： 20372-89-8
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