Quercetagitrin
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Quercetagitrin
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CAS No:
548-75-4
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Formula:
C21H20O13
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Chemical Name:
Quercetagitrin
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Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5,6-trihydroxy-;Quercetagitrin;Quercetagetin 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5,6-trihydroxy-4H-1-benzopyran-4-one;Quercetagetin,7-β-D-glucopyranoside;Quercetagetin 7-D-glucoside;Quercetagetin 7-β-D-glucoside;Quercetagetin 7-O-glucoside;Quercetagetin 7-O-β-D-glucoside;31071-19-9;1333260-37-9
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CAS No:
Description
Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the African Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].
Characteristics
230.74000
0
1.883g/cm3
236-238 °C (decomp) @ Solvent: Pyridine, Water
908ºC at 760mmHg
318.3ºC
1.799
Computed Properties
Molecular Weight:480.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:4
Exact Mass:480.09039069
Monoisotopic Mass:480.09039069
Topological Polar Surface Area:227
Heavy Atom Count:34
Complexity:789
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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