1.02010-04-08 22:11:15 UTC2019-11-26 03:09:59 UTCFDB014408EremophileneEremophilene is a member of the class of compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Eremophilene can be found in burdock, which makes eremophilene a potential biomarker for the consumption of this food product. Eremophila-1(10),11-dieneEremophileneC15H24204.3511204.187800768(3S,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene(1R,7S,8aS)-1,8a-dimethyl-7-(prop-1-en-2-yl)-2,3,5,6,7,8-hexahydro-1H-naphthalene10219-75-7CC1CCC=C2CCC(CC12C)C(C)=CInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3QEBNYNLSCGVZOH-UHFFFAOYSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsBranched unsaturated hydrocarbonsCyclic olefinsPolycyclic hydrocarbonsUnsaturated aliphatic hydrocarbonsAliphatic homopolycyclic compoundBranched unsaturated hydrocarbonCyclic olefinEremophilane sesquiterpenoidHydrocarbonOlefinPolycyclic hydrocarbonUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonlogp4.52iupac(3S,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthaleneaverage_mass204.3511mono_mass204.187800768smilesCC1CCC=C2CCC(CC12C)C(C)=CformulaC15H24inchiInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3inchikeyQEBNYNLSCGVZOH-UHFFFAOYSA-Npolar_surface_area0refractivity67.45polarizability25.74rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs3641Specdb::MsMs3640332Specdb::MsMs3640333Specdb::MsMs3640334Specdb::MsMs3640335Specdb::MsMs3640336Specdb::MsMs3640337BurdockType 1specificArctium lappa4217