Chem
J-GLOBAL ID：201507057804811930   Nikkaji number：J3.372.392J

2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyl β-D-fructopyranoside

2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシルβ-D-フルクトピラノシド
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： C40H38O15
Molecular formula furigana： C40-H38-O15
Molecular weight： 758.729
InChI： InChI=1S/C40H38O15/c41-23-40(34(44)30(43)28(42)21-50-40)55-39-33(54-38(48)27-19-11-4-12-20-27)32(53-37(47)26-17-9-3-10-18-26)31(52-36(46)25-15-7-2-8-16-25)29(51-39)22-49-35(45)24-13-5-1-6-14-24/h1-20,28-34,39,41-44H,21-23H2/t28-,29-,30-,31-,32+,33-,34+,39+,40+/m1/s1
InChI key： LPHBEXNSABRUNR-OBRWXKESSA-N
SMILES： OC[C@@]1(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)OC[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシルβ-D-フルクトピラノシド
  • [(2R,3R,4S,5R,6S)-3,4,5-トリス(ベンゾイルオキシ)-6-{[(2S,3S,4R,5R)-3,4,5-トリヒドロキシ-2-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]メチル ベンゾアート
  • [(2R,3R,4S,5R,6S)-3,4,5-tris(benzoyloxy)-6-{[(2S,3S,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl benzoate
Other name (1)：
  • 2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyl β-D-fructopyranoside
Thsaurus map：
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