Chem
J-GLOBAL ID：200907044297595137   Nikkaji number：J2.079.823H

Hexyl 2-O,3-O,4-O-tribenzoyl-β-D-glucopyranoside

ヘキシル2-O,3-O,4-O-トリベンゾイル-β-D-グルコピラノシド
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： C33H36O9
Molecular formula furigana： C33-H36-O9
Molecular weight： 576.642
InChI： InChI=1S/C33H36O9/c1-2-3-4-14-21-38-33-29(42-32(37)25-19-12-7-13-20-25)28(41-31(36)24-17-10-6-11-18-24)27(26(22-34)39-33)40-30(35)23-15-8-5-9-16-23/h5-13,15-20,26-29,33-34H,2-4,14,21-22H2,1H3/t26-,27-,28+,29-,33-/m1/s1
InChI key： UAKKDYURUVTBEG-CLFGJDMISA-N
SMILES： CCCCCCO[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name  (3)：
  • ヘキシル2-O,3-O,4-O-トリベンゾイル-β-D-グルコピラノシド
  • (2R,3R,4S,5R,6R)-4,5-ビス(ベンゾイルオキシ)-6-(ヘキシルオキシ)-2-(ヒドロキシメチル)オキサン-3-イル ベンゾアート
  • (2R,3R,4S,5R,6R)-4,5-bis(benzoyloxy)-6-(hexyloxy)-2-(hydroxymethyl)oxan-3-yl benzoate
Other name (1)：
  • Hexyl 2-O,3-O,4-O-tribenzoyl-β-D-glucopyranoside
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