Products 6988-81-4

CAS 6988-81-4 appears in our catalog under these names: Petunidin 3-D-Glucoside, Petunidin 3–O–glucoside, Petunidin 3-glucoside chloride, Petunidin-3-O-glucoside chloride 95%, Petunidin-3-O-glucoside (chloride) (Standard). Offered by: Chemat Brand, GLPBio, Biosynth, Ambeed, MedChemExpress. Available pack sizes: on request, 1mg, 5mg, 2mg, 25mg, 10mg, Get quote, 10 mg.

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

Petunidin 3-O-beta-D-glucoside is an anthocyanin cation that is petunidin substituted at position 3 by a beta-D-glucosyl residue. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside, an anthocyanin cation and an aromatic ether. It is functionally related to a petunidin.

Source: ChEBI

Identity
Molecular formulaC22H23O12+
Molecular weight479.4 g/mol
IUPAC name(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyCCQDWIRWKWIUKK-QKYBYQKWSA-O
SMILESCOC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Computed by PubChem (NCBI)