CAS | 117060-54-5 |
Structure | |
Synonyms | 8-C-Glucosyl-7,3',4'-trihydroxyisoflavone |
IUPAC Name | 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
Molecular Weight | 432.38 |
Molecular Formula | C21H20O10 |
Canonical SMILES | C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
InChI | InChI=1S/C21H20O10/c22-6-14-17(27)18(28)19(29)21(31-14)15-12(24)4-2-9-16(26)10(7-30-20(9)15)8-1-3-11(23)13(25)5-8/h1-5,7,14,17-19,21-25,27-29H,6H2/t14-,17-,18+,19-,21+/m1/s1 |
InChI Key | GARZMRVWLORUSR-VPRICQMDSA-N |
Boiling Point | 734.5±60.0 °C |
Purity | 98% |
Density | 1.686 g/ml |
Appearance | Solid |
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