Chem
J-GLOBAL ID：200907067836240070   Nikkaji number：J2.363.791J

Siebolside A

シエボルシドA
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： C22H24O10
Molecular formula furigana： C22-H24-O10
Molecular weight： 448.424
InChI： InChI=1S/C22H24O10/c1-12(23)29-11-17-18(25)19(26)20(27)22(32-17)31-16-9-13(7-8-15(16)24)10-30-21(28)14-5-3-2-4-6-14/h2-9,17-20,22,24-27H,10-11H2,1H3/t17-,18-,19+,20-,22-/m1/s1
InChI key： FUCUESRRBJSDMA-OUUKCGNVSA-N
SMILES： CC(=O)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6-O-アセチル-β-D-グルコピラノシド
  • (3-{[(2S,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4-ヒドロキシフェニル)メチル ベンゾアート
  • (3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-4-hydroxyphenyl)methyl benzoate
Other name (3)：
  • 2-Hydroxy-5-(benzoyloxymethyl)phenyl 6-O-acetyl-β-D-glucopyranoside
  • シエボルシドA
  • Siebolside A
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