Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside
[CAS# 139906-05-1]

Identification

• Name: Cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside
• Synonyms: [(2R,3S,4S,5R,6S)-6-[2-(3,4-Dihydroxyphenyl)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromenylium-3-Yl]Oxy-3,4-Dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Methyl (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate Chloride; (E)-3-(4-Hydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4S,5R,6S)-6-[[2-(3,4-Dihydroxyphenyl)-7-Hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Chromenyliumyl]Oxy]-3,4-Dihydroxy-5-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Methyl Ester Chloride; (E)-3-(4-Hydroxyphenyl)Acrylic Acid [(2R,3S,4S,5R,6S)-6-[[2-(3,4-Dihydroxyphenyl)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1-Benzopyrylium-3-Yl]Oxy]-3,4-Dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Methyl Ester Chloride
• Molecular Formula: C₄₁H₄₅ClO₂₂
• Molecular Weight: 925.25
• CAS Registry Number: 139906-05-1
• SMILES: [O+]1=C6C(=CC(=C1C2=CC(=C(O)C=C2)O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)COC(=O)\C=C\C5=CC=C(O)C=C5)C(=CC(=C6)O)O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO.[Cl-]
• InChI: 1S/C41H44O22.ClH/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16;/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48);1H/t23-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39+,40-,41-;/m1./s1
• InChIKey: VKIASUFWPSUXTH-RGZJCQCWSA-N