Chem
J-GLOBAL ID：200907014812197720   Nikkaji number：J956.823I

Vitexfolin A

ビテクスホリンA
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： C25H28O11
Molecular formula furigana： C25-H28-O11
Molecular weight： 504.488
InChI： InChI=1S/C25H28O11/c1-13(26)2-3-14-5-8-19(18(29)11-14)35-25-24(33)23(32)22(31)20(36-25)12-34-21(30)9-6-15-4-7-16(27)17(28)10-15/h4-11,20,22-25,27-29,31-33H,2-3,12H2,1H3/b9-6+/t20-,22-,23+,24-,25-/m1/s1
InChI key： BNHNQADMJDCLQA-MZNXIEEBSA-N
SMILES： CC(=O)CCc1ccc(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
Systematic name  (3)：
  • 2-ヒドロキシ-4-(3-オキソブチル)フェニル6-O-(3,4-ジヒドロキシ-trans-シンナモイル)-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-[2-ヒドロキシ-4-(3-オキソブチル)フェノキシ]オキサン-2-イル]メチル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 2-Hydroxy-4-(3-oxobutyl)phenyl 6-O-(3,4-dihydroxy-trans-cinnamoyl)-β-D-glucopyranoside
  • ビテクスホリンA
  • Vitexfolin A
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