Chem
J-GLOBAL ID：200907021912053552   Nikkaji number：J4.964F

Populin

ポプリン
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： C20H22O8
Molecular formula furigana： C20-H22-O8
Molecular weight： 390.388
InChI： InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1
InChI key： HHSKNLJWHGXWPK-BFMVXSJESA-N
SMILES： OCc1ccccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(ヒドロキシメチル)フェニル6-O-ベンゾイル-β-D-グルコピラノシド
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-[2-(ヒドロキシメチル)フェノキシ]オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
Other name (7)：
  • ポプリン
  • ポプロシド
  • サリシンベンゾアート
  • Populin
  • Populoside
Show all
CAS registry number： 99-17-2
Regulation number (1)：
  • EINECS2027375
KEGG COMPOUND： C10823
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