Chem
J-GLOBAL ID:200907028345508220
Nikkaji number:J2.609.922F
Cyanidin 3-O-rutinoside 5-O-β-D-glucoside
シアニジン3-O-ルチノシド5-O-β-D-グルコシド
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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 O19 [O+]
Molecular formula furigana:
C33-H41-O20
Molecular weight:
757.670
InChI:
InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
InChI key:
DFJZNAHUOVEDQB-HWKLKBEVSA-O
SMILES:
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name (4):
3′,4′,7-トリヒドロキシ-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-(β-D-グルコピラノシルオキシ)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]-5-(β-D-グルコピラノシルオキシ)-2-(3,4-ジヒドロキシフェニル)-7-ヒドロキシ-1-ベンゾピリリウム
2-(3,4-ジヒドロキシフェニル)-7-ヒドロキシ-5-{[(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}-1λ4 -クロメン-1-イリウム
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(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}-1λ4 -chromen-1-ylium
Other name (4):
3′,4′,7-Trihydroxy-3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-5-(β-D-glucopyranosyloxy)flavylium
3-[(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium
Cyanidin 3-O-rutinoside 5-O-β-D-glucoside
シアニジン3-O-ルチノシド5-O-β-D-グルコシド
CAS registry number:
135558-26-8
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