Chem
J-GLOBAL ID：200907083537492760   Nikkaji number：J956.826C

Vitexfolin C

ビテクスホリンC
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： C23H26O10
Molecular formula furigana： C23-H26-O10
Molecular weight： 462.451
InChI： InChI=1S/C23H26O10/c1-12(25)2-3-13-4-9-17(16(27)10-13)31-23-21(20(29)19(28)18(11-24)32-23)33-22(30)14-5-7-15(26)8-6-14/h4-10,18-21,23-24,26-29H,2-3,11H2,1H3/t18-,19-,20+,21-,23-/m1/s1
InChI key： JZRKNIFBJUEAOD-ZFVIQDPVSA-N
SMILES： CC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(O)cc2)c(O)c1
Systematic name  (3)：
  • 2-ヒドロキシ-4-(3-オキソブチル)フェニル2-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-2-[2-ヒドロキシ-4-(3-オキソブチル)フェノキシ]-6-(ヒドロキシメチル)オキサン-3-イル 4-ヒドロキシベンゾアート
  • (2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl 4-hydroxybenzoate
Other name (3)：
  • 2-Hydroxy-4-(3-oxobutyl)phenyl 2-O-(4-hydroxybenzoyl)-β-D-glucopyranoside
  • ビテクスホリンC
  • Vitexfolin C
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