1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:09:59 UTC FDB014408 Eremophilene Eremophilene 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-diene Eremophilene C15H24 204.3511 204.187800768 (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-naphthalene 10219-75-7 CC1CCC=C2CCC(CC12C)C(C)=C InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3 QEBNYNLSCGVZOH-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 sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Branched unsaturated hydrocarbon Cyclic olefin Eremophilane sesquiterpenoid Hydrocarbon Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 4.52 ChemAxon iupac (3S,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC1CCC=C2CCC(CC12C)C(C)=C ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3 ChemAxon inchikey QEBNYNLSCGVZOH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 67.45 ChemAxon polarizability 25.74 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3640332 Specdb::MsMs 3640333 Specdb::MsMs 3640334 Specdb::MsMs 3640335 Specdb::MsMs 3640336 Specdb::MsMs 3640337 Specdb::EiMs 3641 Burdock Type 1 specific Arctium lappa 4217