Chem
J-GLOBAL ID:200907002859966961
Nikkaji number:J499.043I
Bisdemalonylsalvianin
ビスデマロニルサルビアニン
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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:
C36 H37 O17 [O+]
Molecular formula furigana:
C36-H37-O18
Molecular weight:
757.673
InChI:
InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChI key:
MLLMLJXCGLXOIJ-AQAMAIGXSA-O
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (4):
3-[[6-O-[(E)-3,4-ジヒドロキシシンナモイル]-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]-7-ヒドロキシ-2-(4-ヒドロキシフェニル)-1-ベンゾピリリウム
3-[[6-O-(3,4-ジヒドロキシシンナモイル)-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-(4-ヒドロキシフェニル)-7-ヒドロキシ-1-ベンゾピリリウム
3-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]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}-7-ヒドロキシ-2-(4-ヒドロキシフェニル)-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}-1λ4 -クロメン-1-イリウム
3-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4 -chromen-1-ylium
Other name (6):
3-[[6-O-[(E)-3,4-Dihydroxycinnamoyl]-β-D-glucopyranosyl]oxy]-5-[(β-D-glucopyranosyl)oxy]-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
3-[[6-O-(3,4-Dihydroxycinnamoyl)-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-7-hydroxy-1-benzopyrylium
Pelargonidin 3-O-(6-caffeoyl-β-D-glucoside) 5-O-β-D-glucoside
ペラルゴニジン3-O-(6-カフェオイル-β-D-グルコシド)5-O-β-D-グルコシド
Bisdemalonylsalvianin
ビスデマロニルサルビアニン
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CAS registry number:
168753-26-2
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