Chem
J-GLOBAL ID：200907043122801609   Nikkaji number：J15.849F

Vimalin

ビマリン
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： C16H22O7
Molecular formula furigana： C16-H22-O7
Molecular weight： 326.345
InChI： InChI=1S/C16H22O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChI key： XRQSXJGKRJVWSU-IBEHDNSVSA-N
SMILES： COc1ccc(C=CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Systematic name  (3)：
  • 3-(4-メトキシフェニル)-2-プロペニルβ-D-グルコピラノシド
  • (2R,3S,4S,5R,6R)-2-(ヒドロキシメチル)-6-{[3-(4-メトキシフェニル)プロパ-2-エン-1-イル]オキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[3-(4-methoxyphenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • ビマリン
  • Vimalin
  • 3-(4-Methoxyphenyl)-2-propenyl β-D-glucopyranoside
CAS registry number： 19764-36-4
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