(-)-Epiafzelechin 3-O-gallate
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(-)-Epiafzelechin 3-O-gallate
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CAS No:
108907-43-3
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Formula:
C22H18O9
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Chemical Name:
(-)-Epiafzelechin 3-O-gallate
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Synonyms:
Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester;Benzoic acid,3,4,5-trihydroxy-,3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester,(2R-cis)-;(-)-Epiafzelechin 3-O-gallate
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CAS No:
Description
Epiafzelechin 3-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epiafzelechin. It has a role as a Camellia sinensis metabolite. It is a gallate ester, a polyphenol and a member of flavans. It derives from a (-)-epiafzelechin.
(-)-Epiafzelechin 3-O-gallate Use and Manufacturing
Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Computed Properties
Molecular Weight:426.4
XLogP3:1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:426.09508215
Monoisotopic Mass:426.09508215
Topological Polar Surface Area:157
Heavy Atom Count:31
Complexity:610
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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