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| CAS No.: | 22688-78-4 |
| Molecular Formula | C₂₁H₁₈O₁₂ |
| Molecular Weight | 462.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
IUPAC Name: (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI: InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1
InChIKey: FNTJVYCFNVUBOL-ZUGPOPFOSA-N
Canonical SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Isomeric SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
Synonyms: 22688-78-4; Kaempferol 3-glucuronide; Kaempferol-O-glucuronide; Kaempferol 3-O-beta-D-glucuronide; Kaempferol-3-beta-O-glucuronide; Kaempferol 3-O-; A-D-glucuronide; Kaempferol 3-O-glucuronide; …
Botanical Source: Sophora japonica L.
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