Chem
J-GLOBAL ID：200907007593452519   Nikkaji number：J546.504D

Tetragalloylquinic acid

テトラガロイルキナ酸
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(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29?,35-/m1/s1
InChI key： JQVXKQDWMIXILH-CHJMYIPQSA-N
SMILES： OC(=O)[C@@]1(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](C1)OC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (4)：
  • 1,3β,4β,5α-テトラ(ガロイルオキシ)-1α-シクロヘキサンカルボン酸
  • 1α,3β,4α,5α-テトラキス(ガロイルオキシ)シクロヘキサンカルボン酸
  • (3R,5R)-1,3,4,5-テトラキス(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
  • (3R,5R)-1,3,4,5-tetrakis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
Other name (4)：
  • Tetragalloylquinic acid
  • 1,3β,4β,5α-Tetra(galloyloxy)-1α-cyclohexanecarboxylic acid
  • テトラガロイルキナ酸
  • 1α,3β,4α,5α-Tetrakis(galloyloxy)cyclohexanecarboxylic acid
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