Petunidin
[CAS# 26984-08-7]

Identification

• Name: Petunidin
• Synonyms: (2S,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxy-5-Methoxy-Phenyl)-5,7-Dihydroxy-Chromenylium-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride; (2S,3R,4S,5S,6R)-2-[[2-(3,4-Dihydroxy-5-Methoxyphenyl)-5,7-Dihydroxy-3-Chromenyliumyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride; (2S,3R,4S,5S,6R)-2-[[2-(3,4-Dihydroxy-5-Methoxy-Phenyl)-5,7-Dihydroxy-1-Benzopyrylium-3-Yl]Oxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol Chloride
• Molecular Formula: C₂₂H₂₃ClO₁₂
• Molecular Weight: 514.87
• CAS Registry Number: 26984-08-7
• SMILES: [O+]1=C(C(=CC2=C(O)C=C(O)C=C12)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C4=CC(=C(O)C(=C4)OC)O.[Cl-]
• InChI: 1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1
• InChIKey: HBKZHMZCXXQMOX-YATQZQGFSA-N