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Isoquercitrin

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Catalog Number CI-OT-0098
Product Name Isoquercitrin
CAS 21637-25-2
Structure
Synonyms 3,3',4',5,7-Pentahydroxyflavone 3-β-glucoside
IUPAC Name 3-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular Weight 464.4 g/mol
Molecular Formula C21H20O12
InChI InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1
InChI Key OPJZLUXFQFQYAI-GNPVFZCLSA-N
Boiling Point 916.3±65.0 °C
Melting Point 225-227 °C
Purity 95%
Density 1.87 g/mL
Appearance Solid
Highest Usage In Residency Products 0.0005
Isomeric SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O
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