Products 28338-59-2

CAS 28338-59-2 appears in our catalog under these names: Cyanidin 3-O-rutinoside, Cyanidin 3-O-rutinoside, ≥98%. Offered by: Biosynth, Chemat. Available pack sizes: 5mg.

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

Cyanidin 3-O-rutinoside is a rutinoside consisting of cyanidin having the rutinosyl group at the 3-position. It is a member of benzenes, a rutinoside, an anthocyanin cation and a disaccharide derivative. It is functionally related to a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-rutinoside betaine.

Source: ChEBI

Identity
Molecular formulaC27H31O15+
Molecular weight595.5 g/mol
IUPAC name(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
InChIKeyUSNPULRDBDVJAO-FXCAAIILSA-O
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O

Computed by PubChem (NCBI)