Chem
J-GLOBAL ID:200907058552126163   Nikkaji number:J1.658.981K

Bisphenol A β-D-glucopyranoside

ビスフェノールAモノグルコピラノシド
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: C21H26O7
Molecular formula furigana: C21-H26-O7
Molecular weight: 390.432
InChI: InChI=1S/C21H26O7/c1-21(2,12-3-7-14(23)8-4-12)13-5-9-15(10-6-13)27-20-19(26)18(25)17(24)16(11-22)28-20/h3-10,16-20,22-26H,11H2,1-2H3/t16-,17-,18+,19-,20-/m1/s1
InChI key: CRJNGEKDRAXYDN-OUUBHVDSSA-N
SMILES: CC(C)(c1ccc(O)cc1)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Systematic name  (7):
  • 4-[1-[4-(β-D-グルコピラノシルオキシ)フェニル]-1-メチルエチル]フェノール
  • 4-(α,α-ジメチル-4-ヒドロキシベンジル)フェニルβ-D-グルコピラノシド
  • 4-(α,α-ジメチル-4-ヒドロキシベンジル)フェニル-β-D-グルコピラノシド
  • 4-[1-(4-ヒドロキシフェニル)-1-メチルエチル]フェニルβ-D-グルコピラノシド
  • 2-[4-(β-D-グルコピラノシルオキシ)フェニル]-2-(4-ヒドロキシフェニル)プロパン
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Other name (11):
  • 4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl β-D-glucopyranoside
  • 4-(α,α-Dimethyl-4-hydroxybenzyl)phenyl-β-D-glucopyranoside
  • 4-(α,α-Dimethyl-4-hydroxybenzyl)phenyl β-D-glucopyranoside
  • 4-[1-[4-(β-D-Glucopyranosyloxy)phenyl]-1-methylethyl]phenol
  • ビスフェノールA4′-β-D-グルコピラノシド
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