Chem
J-GLOBAL ID:200907035532075678   Nikkaji number:J1.261.120J

7-[2-O-(6-O-Acetyl-β-D-allopyranosyl)-6-O-acetyl-β-D-glucopyranosyloxy]-4′,5,8-trihydroxyflavone

7-[2-O-(6-O-アセチル-β-D-アロピラノシル)-6-O-アセチル-β-D-グルコピラノシルオキシ]-4′,5,8-トリヒドロキシフラボン
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: C31H34O18
Molecular formula furigana: C31-H34-O18
Molecular weight: 694.595
InChI: InChI=1S/C31H34O18/c1-11(32)43-9-19-22(37)25(40)27(42)30(47-19)49-29-26(41)23(38)20(10-44-12(2)33)48-31(29)46-18-8-16(36)21-15(35)7-17(45-28(21)24(18)39)13-3-5-14(34)6-4-13/h3-8,19-20,22-23,25-27,29-31,34,36-42H,9-10H2,1-2H3/t19-,20-,22-,23-,25-,26+,27-,29-,30+,31-/m1/s1
InChI key: PWOFHOJJMWJGLT-YMRZOMLSSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(oc(cc4=O)c4ccc(O)cc4)c3O)O[C@H](COC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O
Systematic name  (5):
  • 4′,5,8-トリヒドロキシ-7-[[2-O-(6-O-アセチル-β-D-アロピラノシル)-6-O-アセチル-β-D-グルコピラノシル]オキシ]フラボン
  • 7-[2-O-(6-O-アセチル-β-D-アロピラノシル)-6-O-アセチル-β-D-グルコピラノシルオキシ]-4′,5,8-トリヒドロキシフラボン
  • 7-[6-O-アセチル-2-O-(6-O-アセチル-β-D-アロピラノシル)-β-D-グルコピラノシルオキシ]-2-(4-ヒドロキシフェニル)-5,8-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • [(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-2-{[5,8-ジヒドロキシ-2-(4-ヒドロキシフェニル)-4-オキソ-4H-クロメン-7-イル]オキシ}-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル アセタート
  • [(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-2-{[5,8-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Other name (3):
  • 4′,5,8-Trihydroxy-7-[[2-O-(6-O-acetyl-β-D-allopyranosyl)-6-O-acetyl-β-D-glucopyranosyl]oxy]flavone
  • 7-[2-O-(6-O-Acetyl-β-D-allopyranosyl)-6-O-acetyl-β-D-glucopyranosyloxy]-4′,5,8-trihydroxyflavone
  • 7-[6-O-Acetyl-2-O-(6-O-acetyl-β-D-allopyranosyl)-β-D-glucopyranosyloxy]-2-(4-hydroxyphenyl)-5,8-dihydroxy-4H-1-benzopyran-4-one
Thsaurus map:

Return to Previous Page