Products 142561-98-6

CAS 142561-98-6 is the registry number for 2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium, ≥98%. Offered by: Chemat. Available pack sizes: 5mg.

Structural formula: {0} (CAS {1})

Cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) is a xylosylgalactoside and a trisaccharide derivative. It is functionally related to a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine.

Source: ChEBI

Identity
Molecular formulaC32H39O20+
Molecular weight743.6 g/mol
IUPAC name(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyRAHCBDLMLRVOBZ-KMLVFDMGSA-O
SMILESC1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O

Computed by PubChem (NCBI)