Delphinidin
[CAS# 26984-07-6]

Identification

• Name: Delphinidin
• Synonyms: (2S,3R,4S,5S,6R)-2-[5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)Chromenylium-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride; (2S,3R,4S,5S,6R)-2-[[5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)-3-Chromenyliumyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride; (2S,3R,4S,5S,6R)-2-[[5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)-1-Benzopyrylium-3-Yl]Oxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol Chloride
• Molecular Formula: C₂₁H₂₁ClO₁₂
• Molecular Weight: 500.84
• CAS Registry Number: 26984-07-6
• 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)O)O.[Cl-]
• InChI: 1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1
• InChIKey: ZJWIIMLSNZOCBP-BTTVDUMLSA-N