Products 469-83-0

CAS 469-83-0 appears in our catalog under these names: Cafestol (>85%), CAFESTOL/ 99.84% (existing batch purity), Cafestol, Cafestol , (3bS,5aS,7R,8R,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b,11,12-Dodecahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-methanol, ≥98%, ≥98%. Offered by: TRC, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar), Biosynth. Available pack sizes: 50mg, 5mg, 2mg, 10mg, 25mg, 100mg, 250mg, 1mg.

Structural formula: {0} (CAS {1})

Cafestol is an organic heteropentacyclic compound and furan diterpenoid with formula C20H28O3 obtained from the unsaponifiable fraction of coffee oil (a lipid fraction obtained from coffee beans by organic solvent extraction). It has a role as an antioxidant, a hypoglycemic agent, an antineoplastic agent, an angiogenesis inhibitor, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a primary alcohol, a diterpenoid, a member of furans, a tertiary alcohol and an organic heteropentacyclic compound.

Source: ChEBI

Identity
Molecular formulaC20H28O3
Molecular weight316.4 g/mol
IUPAC name(1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
InChIKeyDNJVYWXIDISQRD-HWUKTEKMSA-N
SMILESC[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3

Computed by PubChem (NCBI)