1.02010-04-08 22:09:07 UTC2019-11-26 03:03:37 UTCFDB0104173,7,11-Trimethyldodeca-2,6,10-trienyl acetate3,7,11-trimethyldodeca-2,6,10-trienyl acetate, also known as farnesylacetic acid, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3,7,11-trimethyldodeca-2,6,10-trienyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,7,11-trimethyldodeca-2,6,10-trienyl acetate is a floral, green, and rose tasting compound found in highbush blueberry, which makes 3,7,11-trimethyldodeca-2,6,10-trienyl acetate a potential biomarker for the consumption of this food product. C17H28O2264.403264.208930143,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate29548-30-9CC(C)=CCCC(C)=CCCC(C)=CCOC(C)=OInChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3ZGIGZINMAOQWLX-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty alcohol estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFarsesane sesquiterpenoidFatty alcohol esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidlogp5.67logs-4.29solubility1.37e-02 g/llogp4.6pka_strongest_basic-7iupac3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetateaverage_mass264.403mono_mass264.20893014smilesCC(C)=CCCC(C)=CCCC(C)=CCOC(C)=OformulaC17H28O2inchiInChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3inchikeyZGIGZINMAOQWLX-UHFFFAOYSA-Npolar_surface_area26.3refractivity84.14polarizability32.95rotatable_bond_count9acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs94473Specdb::MsMs94474Specdb::MsMs94475Specdb::MsMs158505Specdb::MsMs158506Specdb::MsMs158507Specdb::MsMs3605146Specdb::MsMs3605147Specdb::MsMs3605148Specdb::MsMs3605149Specdb::MsMs3605150Specdb::MsMs3605151Highbush blueberryType 1specificVaccinium corymbosum692660.0040.0040.004mg/100 gfloralgreenrose