16-O-Methylcafestol

16-O-Methylcafestol, a derivative of cafestol, is an isolate of green coffee beans.[1]

16-O-Methylcafestol
Names
Preferred IUPAC name
[(3bS,5aS,7R,8R,10aR,10bS)-7-Methoxy-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methanol
Identifiers
3D model (JSmol)
  • 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/s1
    Key: BDVVNPOGDNWUOI-GVOJMRIRSA-N
  • C[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)OC)C=CO3
Properties
C21H30O3
Molar mass 330.468 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

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.


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