Chem
J-GLOBAL ID：200907024872271674   Nikkaji number：J1.794.133J

2′′-O-Acetylrutin

2′′-O-アセチルルチン
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： C29H32O17
Molecular formula furigana： C29-H32-O17
Molecular weight： 652.558
InChI： InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24+,27+,28+,29-/m0/s1
InChI key： OTLZRRUHHNDQIU-AMJYKMBKSA-N
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3ccc(O)c(O)c3)[C@H](OC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 2-(3,4-ジヒドロキシフェニル)-3-[2-O-アセチル-6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 3-(2-O-アセチル-6-O-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-3′,4′,5,7-テトラヒドロキシフラボン
  • (2S,3R,4S,5S,6R)-2-{[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-4H-クロメン-3-イル]オキシ}-4,5-ジヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-3-イル アセタート
  • (2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl acetate
Other name (4)：
  • 2-(3,4-Dihydroxyphenyl)-3-[2-O-acetyl-6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 2′′-O-アセチルルチン
  • 2′′-O-Acetylrutin
  • 3-(2-O-Acetyl-6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-3′,4′,5,7-tetrahydroxyflavone
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