Chem
J-GLOBAL ID:200907051002517853   Nikkaji number:J2.407.055G

3-[(2-O-α-L-Rhamnopyranosyl-α-L-rhamnopyranosyl)oxy]-4′,5,7-trihydroxy-3′-methoxyflavylium

3-[(2-O-α-L-ラムノピラノシル-α-L-ラムノピラノシル)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: C28H33O13[O+]
Molecular formula furigana: C28-H33-O14
Molecular weight: 593.557
InChI: InChI=1S/C28H32O14/c1-10-20(32)22(34)24(36)27(38-10)42-26-23(35)21(33)11(2)39-28(26)41-19-9-14-16(31)7-13(29)8-17(14)40-25(19)12-4-5-15(30)18(6-12)37-3/h4-11,20-24,26-28,32-36H,1-3H3,(H2-,29,30,31)/p+1/t10-,11-,20-,21-,22+,23+,24+,26+,27-,28-/m0/s1
InChI key: GWNUBBLUAUTEOZ-AOSLFCDTSA-O
SMILES: COc1cc(ccc1O)c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • 3-[(2-O-α-L-ラムノピラノシル-α-L-ラムノピラノシル)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-{[(2S,3R,4R,5R,6S)-4,5-ジヒドロキシ-6-メチル-3-{[(2S,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}オキサン-2-イル]オキシ}-5,7-ジヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-1λ4-クロメン-1-イリウム
  • 3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ4-chromen-1-ylium
Other name (1):
  • 3-[(2-O-α-L-Rhamnopyranosyl-α-L-rhamnopyranosyl)oxy]-4′,5,7-trihydroxy-3′-methoxyflavylium
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