Chem
J-GLOBAL ID:200907072258304196   Nikkaji number:J431.525A

[3-(4-Hydroxyphenyl)-5-hydroxy-4H-1-benzopyran-7-yl]6-O-acetyl-β-D-glucopyranoside

[3-(4-ヒドロキシフェニル)-5-ヒドロキシ-4H-1-ベンゾピラン-7-イル]6-O-アセチル-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: C23H24O10
Molecular formula furigana: C23-H24-O10
Molecular weight: 460.435
InChI: InChI=1S/C23H24O10/c1-11(24)30-10-19-20(27)21(28)22(29)23(33-19)32-15-7-17(26)16-6-13(9-31-18(16)8-15)12-2-4-14(25)5-3-12/h2-5,7-9,19-23,25-29H,6,10H2,1H3/t19-,20-,21+,22-,23-/m1/s1
InChI key: WDJQADIXVQLEGC-XNBWIAOKSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3CC(=COc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • [3-(4-ヒドロキシフェニル)-5-ヒドロキシ-4H-1-ベンゾピラン-7-イル]6-O-アセチル-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-{[5-ヒドロキシ-3-(4-ヒドロキシフェニル)-4H-クロメン-7-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
  • [3-(4-Hydroxyphenyl)-5-hydroxy-4H-1-benzopyran-7-yl]6-O-acetyl-β-D-glucopyranoside
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