Chem
J-GLOBAL ID：200907035761329063   Nikkaji number：J1.515.666J

2-O-Galloyl-D-galacto-hexaric acid dimethyl ester

2-O-ガロイル-D-galacto-ヘキサル酸ジメチル
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： C15H18O12
Molecular formula furigana： C15-H18-O12
Molecular weight： 390.297
InChI： InChI=1S/C15H18O12/c1-25-14(23)11(21)9(19)10(20)12(15(24)26-2)27-13(22)5-3-6(16)8(18)7(17)4-5/h3-4,9-12,16-21H,1-2H3/t9-,10+,11+,12-/m1/s1
InChI key： FUZPULBJXZQHRK-NOOOWODRSA-N
SMILES： COC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC
Systematic name  (3)：
  • 2-O-ガロイル-D-galacto-ヘキサル酸ジメチル
  • 1,6-ジメチル (2S,3R,4S,5R)-2,3,4-トリヒドロキシ-5-(3,4,5-トリヒドロキシベンゾイルオキシ)ヘキサンジオアート
  • 1,6-dimethyl (2S,3R,4S,5R)-2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioate
Other name (1)：
  • 2-O-Galloyl-D-galacto-hexaric acid dimethyl ester
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