Chem
J-GLOBAL ID:200907092281064578
Nikkaji number:J884.040G
2-O,3-O,4-O,6-O-Tetragalloyl-D-glucopyranose
2-O,3-O,4-O,6-O-テトラガロイル-D-グルコピラノース
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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:
C34 H28 O22
Molecular formula furigana:
C34-H28-O22
Molecular weight:
788.576
InChI:
InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(47)52-9-22-27(54-31(48)11-3-16(37)24(44)17(38)4-11)28(55-32(49)12-5-18(39)25(45)19(40)6-12)29(34(51)53-22)56-33(50)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-46,51H,9H2/t22-,27-,28+,29-,34?/m1/s1
InChI key:
RJINLRBSXMOGAQ-KMNHUKDVSA-N
SMILES:
OC1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name (4):
2-O,3-O,4-O,6-O-テトラガロイル-D-グルコピラノース
D-グルコピラノース2,3,4,6-テトラキス(3,4,5-トリヒドロキシベンゾアート)
[(2R,3R,4S,5R)-6-ヒドロキシ-3,4,5-トリス(3,4,5-トリヒドロキシベンゾイルオキシ)オキサン-2-イル]メチル 3,4,5-トリヒドロキシベンゾアート
[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Other name (2):
2-O,3-O,4-O,6-O-Tetragalloyl-D-glucopyranose
D-Glucopyranose 2,3,4,6-tetrakis(3,4,5-trihydroxybenzoate)
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