Record Information
Version1.0
Creation date2017-01-17 12:57:17 UTC
Update date2017-01-17 12:57:17 UTC
FoodComEx IDPC001026
FoodDB RecordNot Available
Chemical Information
Name3'-O-beta-D-Glucuronyl-hesperetin
DescriptionOne of the main circulating metabolites of hesperetin and its dietary derivatives
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
hesperetin 3'-O-beta-D-glucuronideFoodComEx
Chemical FormulaC22H22O12
IUPAC name(3S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI IdentifierInChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17?,18-,19+,20?,22+/m0/s1
InChI KeyPJAUEKWZQWLQSU-AIUYEONLSA-N
Isomeric SMILESCOC1=CC=C(C=C1O[C@@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O
Average Molecular Weight478.406
Monoisotopic Molecular Weight478.111126148
Chemical Taxonomy
ClassFlavanone
FamilyNot Available
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 ReferenceM. K. Khan, N. Rakotomanomana, M. Loonis, O. Dangles, J. Agric. Food Chem. 2010, 58, 8437–8443.
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, in g
Delivery TimeNot Available
Storage Formpowder
Storage Conditions-18°C
StabilityHigh
Purity>90%
Spectra
Spectral Data Upon Request1H NMR, 13C NMR, UV
Provider Information
Contact NameContact InstitutionContact Email
Olivier DanglesUniversity of Avignon, Sécurité et Qualité des Produits d'Origine Végétale, Campus JH Fabre 301 rue Baruch de Spinoza, BP 21239, Cedex 9,, Avignon , FR, 84916olivier.dangles@univ-avignon.fr