Chem
J-GLOBAL ID:200907046147015453
Nikkaji number:J592.761G
2-(3,4,5-Trihydroxyphenyl)-3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-5-hydroxy-7-(β-D-glucopyranosyloxy)-1-benzopyrylium
2-(3,4,5-トリヒドロキシフェニル)-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)-5-ヒドロキシ-7-(β-D-グルコピラノシルオキシ)-1-ベンゾピリリウム
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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:
C33 H41 O20 [O+]
Molecular formula furigana:
C33-H41-O21
Molecular weight:
773.669
InChI:
InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
InChI key:
RNPFWTUNILZAAJ-GNQVHQKOSA-O
SMILES:
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4[o+]c3c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name (6):
2-(3,4,5-トリヒドロキシフェニル)-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]-7-(β-D-グルコピラノシルオキシ)-5-ヒドロキシ-1-ベンゾピリリウム
2-(3,4,5-トリヒドロキシフェニル)-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)-5-ヒドロキシ-7-(β-D-グルコピラノシルオキシ)-1-ベンゾピリリウム
2-(3,4,5-トリヒドロキシフェニル)-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]-5-ヒドロキシ-7-(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]-5-ヒドロキシ-7-(β-D-グルコピラノシルオキシ)-2-(3,4,5-トリヒドロキシフェニル)-1-ベンゾピリリウム
5-ヒドロキシ-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-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}-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
5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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}-2-(3,4,5-trihydroxyphenyl)-1λ4 -chromen-1-ylium
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Other name (4):
2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-1-benzopyrylium
2-(3,4,5-Trihydroxyphenyl)-3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-5-hydroxy-7-(β-D-glucopyranosyloxy)-1-benzopyrylium
2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-5-hydroxy-7-(β-D-glucopyranosyloxy)-1-benzopyrylium
3-[6-O-(α-L-Rhamnopyranosyl)-β-D-glucopyranosyloxy]-5-hydroxy-7-(β-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium
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