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| CAS No.: | 145134-61-8 |
| Molecular Formula | C₂₁H₂₀O₁₂ |
| Molecular Weight | 464.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
IUPAC Name: 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI: InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2/t11-,14-,17+,18-,21+/m1/s1
InChIKey: DIYGQKBUNSAYQA-CZTZGLBASA-N
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Isomeric SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Synonyms: 145134-61-8; Scutellarein 3-O-glucoside; 6-Hydroxykaempferol 3-O-beta-D-glucoside; 6-Hydroxykaempferol 3-O-; A-D-glucoside; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one; …
Botanical Source:
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