$96.00
| CAS No.: | 548-75-4 |
| Molecular Formula | C₂₁H₂₀O₁₃ |
| Molecular Weight | 480.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
| Weight |
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IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI: InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1
InChIKey: IDTDRZPBDLMCLB-HSOQPIRZSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O
Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O
Synonyms: Quercetagitrin; Quercetagetin-7-O-glucoside; 548-75-4; 4DX1W79Z8Y; 2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Quercetagetin 7-O-glucoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-3,5,6-trihydroxy-; Quercetagetin 7-glucoside; …
Botanical Source: Tagetes erecta L
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