Record Information
Version1.0
Creation date2017-01-17 15:28:19 UTC
Update date2017-01-17 15:28:19 UTC
FoodComEx IDPC001044
FoodDB RecordNot Available
Chemical Information
Name4′-O-methyl(epi)catechin
Description(Epi)catechin in the human intestinal tract is largely metabolized and distributed as conjugated derivative. 4´-O-methyl(epi)catechin is one of the main metabolite.
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
Chemical FormulaC16H18O7
IUPAC name(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol hydrate
InChI IdentifierInChI=1S/C16H16O6.H2O/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16;/h2-6,13,16-20H,7H2,1H3;1H2/t13-,16-;/m1./s1
InChI KeySPGGKZQUGAOSOR-OALZAMAHSA-N
Isomeric SMILESO.[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1
Average Molecular Weight322.313
Monoisotopic Molecular Weight322.10525292
Chemical Taxonomy
ClassFlavonoid
FamilyFlavan-3-ol
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodchemical synthesis
Production Method ReferenceGonzalez-Manzano S , Gonzalez-Paramas A, Santos-Buelga C.; Dueñas, M. Preparation and Characterization of Catechin Sulfates, Glucuronides, and Methylethers with Metabolic Interest. Journal of Agricultural and Food Chemistry. 2009, 57, 1231-1238
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, in mg
Delivery TimeNot Available
Storage Formsolid
Storage ConditionsRT
StabilityNot Available
Purity>90%
Spectra
Spectral Data Upon Request1D NMR, 2D NMR, LC-MS, LC-MS/MS, UV
Provider Information
Contact NameContact InstitutionContact Email
Celestino Santos-BuelgaUniversidad de Salamanca, Area de Nutrición y Bromatología, Facultad de Farmacia - Campus Miguel de Unamuno, Salamanca, ES, 37007csb@usal.es