Chem
J-GLOBAL ID:200907050356685749   Nikkaji number:J1.017.716B

2-(3,4-Dihydroxyphenyl)-3-[[2-O-β-D-xylopyranosyl-6-O-[6-O-(4-chlorobenzoyl)-β-D-glucopyranosyl]-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium

2-(3,4-ジヒドロキシフェニル)-3-[[2-O-β-D-キシロピラノシル-6-O-[6-O-(4-クロロベンゾイル)-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]オキシ]-5,7-ジヒドロキシ-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: C39H42ClO20[O+]
Molecular formula furigana: C39-H42-CL-O21
Molecular weight: 882.190
InChI: InChI=1S/C39H41ClO21/c40-16-4-1-14(2-5-16)36(53)54-12-25-28(47)30(49)33(52)37(59-25)56-13-26-29(48)31(50)35(61-38-32(51)27(46)22(45)11-55-38)39(60-26)58-24-10-18-20(43)8-17(41)9-23(18)57-34(24)15-3-6-19(42)21(44)7-15/h1-10,22,25-33,35,37-39,45-52H,11-13H2,(H3-,41,42,43,44)/p+1/t22-,25-,26-,27+,28-,29+,30+,31+,32-,33-,35-,37-,38+,39-/m1/s1
InChI key: YFLQYMBWJVNPLC-AJOFZSTGSA-O
SMILES: O[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]3O[C@H](COC(=O)c4ccc(Cl)cc4)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2Oc2cc3c(O)cc(O)cc3[o+]c2c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Systematic name  (3):
  • 2-(3,4-ジヒドロキシフェニル)-3-[[2-O-β-D-キシロピラノシル-6-O-[6-O-(4-クロロベンゾイル)-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]オキシ]-5,7-ジヒドロキシ-1-ベンゾピリリウム
  • 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4S,5S,6R)-6-[(4-クロロベンゾイルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)-4,5-ジヒドロキシ-3-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-1λ4-クロメン-1-イリウム
  • 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4S,5S,6R)-6-[(4-chlorobenzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ4-chromen-1-ylium
Other name (1):
  • 2-(3,4-Dihydroxyphenyl)-3-[[2-O-β-D-xylopyranosyl-6-O-[6-O-(4-chlorobenzoyl)-β-D-glucopyranosyl]-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium
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