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| CAS No.: | 6988-81-4 |
| Molecular Formula | C₂₂H₂₃ClO₁₂ |
| Molecular Weight | 514.9g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
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;chloride
InChI: 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
Canonical SMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]
Isomeric SMILES: COC1=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.[Cl-]
Synonyms: 6988-81-4; Petunidin 3-glucoside; Petunidin 3-monoglucoside; petunidin 3-O-beta-D-glucoside; Petunidin-3-O-glucoside chloride; Petunidin-3-O-glucoside (chloride); Petunidin monoglucoside; Petunidin-3-O-glucoside; …
Botanical Source:
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