Chem
J-GLOBAL ID：200907086951492860   Nikkaji number：J1.923.815F

3-Hydroxyestragole β-D-glucopyranoside

3-ヒドロキシエストラゴールβ-D-グルコピラノシド
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/c1-3-4-9-5-6-10(21-2)11(7-9)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1
InChI key： LIEMWVYKRWIQMX-IBEHDNSVSA-N
SMILES： COc1ccc(CC=C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-メトキシ-5-(2-プロペニル)フェニルβ-D-グルコピラノシド
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-[2-メトキシ-5-(プロパ-2-エン-1-イル)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-[2-methoxy-5-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
Other name (3)：
  • 2-Methoxy-5-(2-propenyl)phenyl β-D-glucopyranoside
  • 3-ヒドロキシエストラゴールβ-D-グルコピラノシド
  • 3-Hydroxyestragole β-D-glucopyranoside
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