Chem
J-GLOBAL ID：200907045013109030   Nikkaji number：J389.253K

3,5-Bis[(6-O-acetyl-β-D-glucopyranosyl)oxy]-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

3,5-ビス[(6-O-アセチル-β-D-グルコピラノシル)オキシ]-7-ヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-1-ベンゾピリリウム
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： C31H35O18[O+]
Molecular formula furigana： C31-H35-O19
Molecular weight： 711.601
InChI： InChI=1S/C31H34O19/c1-10(32)44-8-20-23(38)25(40)27(42)30(49-20)47-18-6-13(34)5-17-14(18)7-19(29(46-17)12-3-15(35)22(37)16(36)4-12)48-31-28(43)26(41)24(39)21(50-31)9-45-11(2)33/h3-7,20-21,23-28,30-31,38-43H,8-9H2,1-2H3,(H3-,34,35,36,37)/p+1/t20-,21-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1
InChI key： KCSOXZNFQZDAHM-IOUFFHECSA-O
SMILES： CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3,5-ビス[(6-O-アセチル-β-D-グルコピラノシル)オキシ]-7-ヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-1-ベンゾピリリウム
  • 3,5-ビス({[(2S,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ})-7-ヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-1λ4-クロメン-1-イリウム
  • 3,5-bis({[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy})-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Other name (1)：
  • 3,5-Bis[(6-O-acetyl-β-D-glucopyranosyl)oxy]-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium
Thsaurus map：
Thesaurus Map

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