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| CAS No.: | 6906-38-3 |
| Molecular Formula | C₂₁H₂₁ClO₁₂ |
| Molecular Weight | 500.8g/mol |
| Purity | HPLC>98% |
| Chemical Family | Anthocyanins |
IUPAC Name: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
InChI: 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
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]
Isomeric SMILES: C1=C(C=C(C(=C1O)O)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.[Cl-]
Synonyms: Myrtillin; 6906-38-3; Mirtillin; DELPHINIDIN-3-GLUCOSIDE; Delphinidin 3-monoglucoside; Delphinidol 3-glucoside; DELPHINIDIN 3-GLUCOSIDE CHLORIDE; Delphinidine 3-monoglucoside; …
Botanical Source:
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