Chem
J-GLOBAL ID：200907000104267840   Nikkaji number：J1.664.899J

1,3-Bis(β-D-glucopyranosyloxy)-5-methylbenzene

1,3-ビス(β-D-グルコピラノシルオキシ)-5-メチルベンゼン
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： C19H28O12
Molecular formula furigana： C19-H28-O12
Molecular weight： 448.421
InChI： InChI=1S/C19H28O12/c1-7-2-8(28-18-16(26)14(24)12(22)10(5-20)30-18)4-9(3-7)29-19-17(27)15(25)13(23)11(6-21)31-19/h2-4,10-27H,5-6H2,1H3/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
InChI key： GEGRXOILJBWHNH-SKYGPZSASA-N
SMILES： Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (3)：
  • 1,3-ビス(β-D-グルコピラノシルオキシ)-5-メチルベンゼン
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-(3-メチル-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェノキシ)オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)oxane-3,4,5-triol
Other name (1)：
  • 1,3-Bis(β-D-glucopyranosyloxy)-5-methylbenzene
Thsaurus map：
Thesaurus Map

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