Chem
J-GLOBAL ID：200907052062740310   Nikkaji number：J1.212.664F

Eximine

エキシミン
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： C19H20O8
Molecular formula furigana： C19-H20-O8
Molecular weight： 376.361
InChI： InChI=1S/C19H20O8/c20-12-6-8-13(9-7-12)26-19-17(23)16(22)15(21)14(27-19)10-25-18(24)11-4-2-1-3-5-11/h1-9,14-17,19-23H,10H2/t14-,15-,16+,17-,19-/m1/s1
InChI key： ZNWJKOJJZQDPSW-OGJJZOIMSA-N
SMILES： O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc2ccc(O)cc2)[C@@H]1O
Systematic name  (3)：
  • 4-ヒドロキシフェニル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-(4-ヒドロキシフェノキシ)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-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
Other name (3)：
  • 4-Hydroxyphenyl 6-O-benzoyl-β-D-glucopyranoside
  • エキシミン
  • Eximine
CAS registry number： 71202-99-8
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