Chem
J-GLOBAL ID：200907037008579866   Nikkaji number：J2.771.888D

3,5-Di-O-galloyl-4-O-digalloylquinic acid

3,5-ジ-O-ガロイル-4-O-ジガロイルキナ酸
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： C35H28O22
Molecular formula furigana： C35-H28-O22
Molecular weight： 800.587
InChI： InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(55-31(48)12-3-17(38)26(45)18(39)4-12)29(23)57-33(50)14-7-21(42)28(22(43)8-14)56-32(49)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)
InChI key： IUPQNOUMMBZOED-UHFFFAOYSA-N
SMILES： OC(=O)C1(O)CC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c(O)c2)C(C1)OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • 3,5-ジヒドロキシ-4-[(3,4,5-トリヒドロキシベンゾイル)オキシ]安息香酸4-カルボキシ-4-ヒドロキシ-2,6-ビス[(3,4,5-トリヒドロキシベンゾイル)オキシ]シクロヘキシル
  • 4-[3,5-ジヒドロキシ-4-(3,4,5-トリヒドロキシベンゾイルオキシ)ベンゾイルオキシ]-1-ヒドロキシ-3,5-ビス(3,4,5-トリヒドロキシベンゾイルオキシ)シクロヘキサン-1-カルボン酸
  • 4-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-1-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
Other name (3)：
  • 3,5-Dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid 4-carboxy-4-hydroxy-2,6-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester
  • 3,5-Di-O-galloyl-4-O-digalloylquinic acid
  • 3,5-ジ-O-ガロイル-4-O-ジガロイルキナ酸
CAS registry number： 123134-19-0
KEGG COMPOUND： C10220
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