Chem
J-GLOBAL ID：200907010822165759   Nikkaji number：J2.200.129I

Flavan-3-ol gallate

フラバン-3-オールガラート
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： C22H18O6
Molecular formula furigana： C22-H18-O6
Molecular weight： 378.380
InChI： InChI=1S/C22H18O6/c23-16-10-15(11-17(24)20(16)25)22(26)28-19-12-14-8-4-5-9-18(14)27-21(19)13-6-2-1-3-7-13/h1-11,19,21,23-25H,12H2
InChI key： CFGCVSCATFZPPH-UHFFFAOYSA-N
SMILES： Oc1cc(cc(O)c1O)C(=O)OC1Cc2ccccc2OC1c1ccccc1
Systematic name  (3)：
  • 3-(ガロイルオキシ)-2-フェニル-3,4-ジヒドロ-2H-1-ベンゾピラン
  • 2-フェニル-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル 3,4,5-トリヒドロキシベンゾアート
  • 2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Other name (3)：
  • 3-(Galloyloxy)-2-phenyl-3,4-dihydro-2H-1-benzopyran
  • フラバン-3-オールガラート
  • Flavan-3-ol gallate
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