1.02010-04-08 22:11:32 UTC2017-04-03 04:52:26 UTCFDB014892AllofarneseneIsol. (without stereochemical distinction) from oil of Cymbopogon nardus (citronella), Cananga odorata (ylang ylang) and others3,7,11-Trimethyl-2,4,6,10-dodecatetraeneAllofarneseneC15H24204.3511204.187800768(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraenefarnesene502-61-4C\C=C(/C)\C=C\C=C(\C)CCC=C(C)CInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6+,15-12-JEKGHHPMLRLCIW-VBVMRKNNSA-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 compoundsAlkatetraenesBranched unsaturated hydrocarbonsUnsaturated aliphatic hydrocarbonsAcyclic olefinAliphatic acyclic compoundAlkatetraeneBranched unsaturated hydrocarbonFarsesane sesquiterpenoidHydrocarbonOlefinSesquiterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonFarnesenesalpha-farnesenelogp5.70logs-4.60solubility5.19e-03 g/llogp5.14iupac(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraeneaverage_mass204.3511mono_mass204.187800768smilesC\C=C(/C)\C=C\C=C(\C)CCC=C(C)CformulaC15H24inchiInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6+,15-12-inchikeyJEKGHHPMLRLCIW-VBVMRKNNSA-Npolar_surface_area0refractivity73.25polarizability26.86rotatable_bond_count6acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs1606Specdb::CMs3143Specdb::CMs131731Specdb::CMs139465Specdb::MsMs109776Specdb::MsMs109777Specdb::MsMs109778Specdb::MsMs177291Specdb::MsMs177292Specdb::MsMs177293Specdb::MsMs2380596Specdb::MsMs2380597Specdb::MsMs2380598Specdb::MsMs2557992Specdb::MsMs2557993Specdb::MsMs2557994sweetwood