Chem
J-GLOBAL ID：201507021303718901   Nikkaji number：J3.372.393H

2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyl α-D-mannofuranoside

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α-D-マンノフラノシド
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/c41-21-27(42)31-29(43)30(44)39(54-31)55-40-34(53-38(48)26-19-11-4-12-20-26)33(52-37(47)25-17-9-3-10-18-25)32(51-36(46)24-15-7-2-8-16-24)28(50-40)22-49-35(45)23-13-5-1-6-14-23/h1-20,27-34,39-44H,21-22H2/t27-,28-,29-,30+,31-,32-,33+,34-,39-,40+/m1/s1
InChI key： XZJDKUIZNDRXBA-VTQUWABMSA-N
SMILES： OC[C@@H](O)[C@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[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α-D-マンノフラノシド
  • [(2R,3R,4S,5R,6S)-3,4,5-トリス(ベンゾイルオキシ)-6-{[(2R,3S,4R,5R)-5-[(1R)-1,2-ジヒドロキシエチル]-3,4-ジヒドロキシオキソラン-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-{[(2R,3S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}oxan-2-yl]methyl benzoate
Other name (1)：
  • 2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyl α-D-mannofuranoside
Thsaurus map：
Thesaurus Map

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