Record Information
Version1.0
Creation date2018-04-10 11:09:12 UTC
Update date2018-04-16 14:29:04 UTC
FoodComEx IDPC001059
FoodDB RecordFDB014432
Chemical Information
NameCafestol
DescriptionCafestol is a diterpene molecule present in coffee. Has hypercholesterolaemic activity.
CAS Number469-83-0
Structure
Thumb
Synonyms
SynonymSource
Cafesteroldb_source
Coffeoldb_source
Chemical FormulaC20H28O3
IUPAC name17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol
InChI IdentifierInChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3
InChI KeyDNJVYWXIDISQRD-UHFFFAOYSA-N
Isomeric SMILESCC12CCC3=C(C=CO3)C1CCC13CC(CCC21)C(O)(CO)C3
Average Molecular Weight316.4345
Monoisotopic Molecular Weight316.203844762
Chemical Taxonomy
ClassTerpenoids
FamilyDiterpenoids
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 160-162° dec.DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions4°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
Cayman Chemical 13999
Toronto Research Chemicals C079900