Chem
J-GLOBAL ID：201007049197797754   Nikkaji number：J2.777.623J

4-Hydroxybenzoyl 6-O-[(E)-cinnamoyl]-β-D-glucopyranoside

4-ヒドロキシベンゾイル6-O-[(E)-シンナモイル]-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： C22H22O9
Molecular formula furigana： C22-H22-O9
Molecular weight： 430.409
InChI： InChI=1S/C22H22O9/c23-15-9-7-14(8-10-15)21(28)31-22-20(27)19(26)18(25)16(30-22)12-29-17(24)11-6-13-4-2-1-3-5-13/h1-11,16,18-20,22-23,25-27H,12H2/b11-6+/t16-,18-,19+,20-,22+/m1/s1
InChI key： NPXTURAWYWXWAN-SVNCTDSZSA-N
SMILES： O[C@@H]1[C@@H](COC(=O)/C=C/c2ccccc2)O[C@@H](OC(=O)c2ccc(O)cc2)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 4-ヒドロキシベンゾイル6-O-[(E)-シンナモイル]-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2E)-3-フェニルプロパ-2-エノイル]オキシ}メチル)オキサン-2-イル 4-ヒドロキシベンゾアート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)oxan-2-yl 4-hydroxybenzoate
Other name (1)：
  • 4-Hydroxybenzoyl 6-O-[(E)-cinnamoyl]-β-D-glucopyranoside
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