Chem
J-GLOBAL ID：200907037284755058   Nikkaji number：J2.363.792H

Siebolside B

シエボルシドB
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： C20H22O9
Molecular formula furigana： C20-H22-O9
Molecular weight： 406.387
InChI： InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-11(6-7-13(14)22)10-27-19(26)12-4-2-1-3-5-12/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
InChI key： VUIFKSAQRHGZDL-BFMVXSJESA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc(COC(=O)c3ccccc3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-ヒドロキシ-5-(ベンゾイルオキシメチル)フェニルβ-D-グルコピラノシド
  • (4-ヒドロキシ-3-{[(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}フェニル)メチル ベンゾアート
  • (4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl benzoate
Other name (3)：
  • 2-Hydroxy-5-(benzoyloxymethyl)phenyl β-D-glucopyranoside
  • シエボルシドB
  • Siebolside B
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