Chem
J-GLOBAL ID：200907036481797360   Nikkaji number：J490.100B

1,4,6-Tri-O-galloyl-β-D-glucose

1,4,6-トリ-O-ガロイル-β-D-グルコース
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： C27H24O18
Molecular formula furigana： C27-H24-O18
Molecular weight： 636.471
InChI： InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23-,27+/m1/s1
InChI key： SUAXOYITDJNGFM-BTPAJHBMSA-N
SMILES： O[C@@H]1[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (5)：
  • 1-O,4-O,6-O-トリガロイル-β-D-グルコピラノース
  • ガロイル4-O,6-O-ジガロイル-β-D-グルコピラノシド
  • β-D-グルコピラノース1,4,6-トリス(3,4,5-トリヒドロキシベンゾアート)
  • (2R,3S,4R,5R,6S)-4,5-ジヒドロキシ-6-(3,4,5-トリヒドロキシベンゾイルオキシ)-2-[(3,4,5-トリヒドロキシベンゾイルオキシ)メチル]オキサン-3-イル 3,4,5-トリヒドロキシベンゾアート
  • (2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
Other name (4)：
  • Galloyl 4-O,6-O-digalloyl-β-D-glucopyranoside
  • β-D-Glucopyranose 1,4,6-tris(3,4,5-trihydroxybenzoate)
  • 1,4,6-トリ-O-ガロイル-β-D-グルコース
  • 1,4,6-Tri-O-galloyl-β-D-glucose
Thsaurus map：
Thesaurus Map

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