CAS 139906-05-1: 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)- 7-hydroxy-3-((6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-2-O-beta -D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, chloride

Description:1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-((6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, chloride, identified by CAS number 139906-05-1, is a complex organic compound characterized by its polyphenolic structure and glycosylation. This substance features a benzopyrylium core, which is a type of heterocyclic compound known for its aromatic properties and potential biological activity. The presence of multiple hydroxyl groups suggests strong hydrogen bonding capabilities, which may enhance its solubility in polar solvents and contribute to its antioxidant properties. The glycosylation with beta-D-glucopyranosyl and beta-D-xylopyranosyl moieties indicates that this compound may exhibit significant biological interactions, potentially influencing its pharmacokinetics and bioavailability. Additionally, the chloride ion suggests that it may exist in a salt form, which can affect its stability and reactivity. Overall, this compound's intricate structure may confer unique chemical properties and potential applications in medicinal chemistry and natural product research.

Formula:C₄₁H₄₅ClO₂₂

InChI:InChI=1/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

Synonyms:
2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside chloride
cyanidin 3-(6-(4-coumaroyl)-2-(xylosyl)-glucoside)-5-glucoside