Record Information
Version1.0
Creation date2017-01-17 14:28:49 UTC
Update date2017-01-17 14:28:49 UTC
FoodComEx IDPC001039
FoodDB RecordNot Available
Chemical Information
Name(Rac)-5-(3,4,5-trihydroxybenzyl)dihydrofuran-2(3H)-one X
DescriptionPhenyl-γ-valerolactones are the main compounds derived from the metabolism of flavan-3-ol monomers (i.e. catechins) and oligomers (i.e. proanthocyanidins). This metabolite has microbial origin.
CAS Number509078-28-8
Structure
Thumb
Synonyms
SynonymSource
(±)-5(3,4,5-trihydroxyphenyl)-g-valerolactone (M4)FoodComEx
Chemical FormulaC11H12O5
IUPAC name(5R)-5-[(3,4,5-trihydroxyphenyl)methyl]oxolan-2-one
InChI IdentifierInChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2/t7-/m1/s1
InChI KeyCZVAQLJEUUFQCH-SSDOTTSWSA-N
Isomeric SMILESOC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1O
Average Molecular Weight224.212
Monoisotopic Molecular Weight224.068473486
Chemical Taxonomy
ClassFlavonoid
FamilyFlavan-3-ol
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
Produced after consumption of green tea, among other sources of (epi)gallocatechins.
Production Data
Production Methodchemical synthesis
Production Method ReferenceCurti, C.; Del Rio,D. et al. Adv. Synth. Catal. 2015
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, in g
Delivery TimeNot Available
Storage Formamorphous solid
Storage Conditions4°C
StabilityNot Available
Purity>90%
Spectra
Spectral Data Upon Request1H NMR, 13C NMR, ESI-MS
Provider Information
Contact NameContact InstitutionContact Email
Claudio CurtiUniversity of Parma, Department of Food and Drug, Parco Area delle Scienze 27A, Parma, IT, 43124 claudio.curti@unipr.it
Daniele Del RioUniversity of Parma/ University of Cambridge, Department of Food Science, via Università, 12, Parma, IT, 43121daniele.delrio@unipr.it
Pedro MenaUniversity of Parma, Department of Food & Drug, Via Volturno 39, Palazzina C, Parma, IT, 43125pedromiguel.menaparreno@unipr.it
Nicoletta BrindaniUniversity of Parma, Department of Pharmacy / Department of Food Science, Parco Area delle Scienze 27A, Parma, IT, 43124nicoletta.brindani@studenti.unipr.it