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16-O-Methylcafestol

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16-O-Methylcafestol
Names
IUPAC name 16α-Methoxy-3,18-(epoxymetheno)-19-nor-5β,8α,9β,10α,13β,16β-kaur-3-en-17-ol
Systematic IUPAC name naphthofuran-7-yl]methanol
Identifiers
CAS Number
3D model (JSmol)
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1Key: BDVVNPOGDNWUOI-GVOJMRIRSA-N
SMILES
  • C12CCC3=C(1CC452CC(C4)(C5)(CO)OC)C=CO3
Properties
Chemical formula C21H30O3
Molar mass 330.468 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

16-O-Methylcafestol, a derivative of cafestol, is an isolate of green coffee beans.

This derivative only occurs in the robusta variant of coffee (as opposed to the more expensive arabica, where only cafestol is present). Thus 16-O-Methylcafestol is used as an analytical marker for determining the robusta content of coffee blends.

References

  1. d'Amelio, N; De Angelis, E; Navarini, L; Schievano, E; Mammi, S (2013). "Green coffee oil analysis by high-resolution nuclear magnetic resonance spectroscopy". Talanta. 110: 118–27. doi:10.1016/j.talanta.2013.02.024. PMID 23618184.
  2. Burton, Ian W.; Martinez Farina, Camilo F.; Ragupathy, Subramanyam; Arunachalam, Thirugnanasambandam; Newmaster, Steve; Berrué, Fabrice (2020-12-09). "Quantitative NMR Methodology for the Authentication of Roasted Coffee and Prediction of Blends". Journal of Agricultural and Food Chemistry. 68 (49): 14643–14651. doi:10.1021/acs.jafc.0c06239. ISSN 0021-8561. PMID 33252222. S2CID 227237285.


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