Chem
J-GLOBAL ID:200907099820777162   Nikkaji number:J867.555D

3-[(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)oxy]-4′,5,7-trihydroxy-3′-methoxyflavylium

3-[(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]-4′,5,7-トリヒドロキシ-3′-メトキシフラビリウム
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: C28H33O14[O+]
Molecular formula furigana: C28-H33-O15
Molecular weight: 609.556
InChI: InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1
InChI key: ONQVTPMFYSRRLL-HUJUZFAXSA-O
SMILES: COc1cc(ccc1O)c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (5):
  • 5,7-ジヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-3-(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)-1-ベンゾピリリウム
  • 3-[(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]-4′,5,7-トリヒドロキシ-3′-メトキシフラビリウム
  • 3-[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′-メトキシ-4′,5,7-トリヒドロキシフラビリウム
  • 5,7-ジヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-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-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (3):
  • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-1-benzopyrylium
  • 3-[(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)oxy]-4′,5,7-trihydroxy-3′-methoxyflavylium
  • 3-[6-O-(α-L-Rhamnopyranosyl)-β-D-glucopyranosyloxy]-3′-methoxy-4′,5,7-trihydroxyflavylium
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