1.0 2010-04-08 22:11:21 UTC 2019-11-26 03:10:22 UTC FDB014578 (-)-beta-Elemene Constituent of sweet-flag and juniper oils, Mentha subspecies (-)-beta-Elemene is found in herbs and spices and root vegetables. (-)-beta-Elemene β-elemene, (-)- Beta-elemene, (-)- Elemene Levo-beta-elemene C15H24 204.3511 204.187800768 1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane (-)-β-elemene 515-13-9 CC(=C)C1CCC(C)(C=C)C(C1)C(C)=C InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3 OPFTUNCRGUEPRZ-UHFFFAOYSA-N belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Elemane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Cyclic olefin Elemane sesquiterpenoid Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon a sesquiterpenoid logp 5.40 ALOGPS logs -4.71 ALOGPS solubility 3.98e-03 g/l ALOGPS logp 4.74 ChemAxon iupac 1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC(=C)C1CCC(C)(C=C)C(C1)C(C)=C ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3 ChemAxon inchikey OPFTUNCRGUEPRZ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 68.23 ChemAxon polarizability 26.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18545 Specdb::CMs 120021 Specdb::MsMs 8543 Specdb::MsMs 8544 Specdb::MsMs 8545 Specdb::MsMs 9764 Specdb::MsMs 9765 Specdb::MsMs 9766 Specdb::MsMs 15215 Specdb::MsMs 15216 Specdb::MsMs 15217 Specdb::MsMs 16436 Specdb::MsMs 16437 Specdb::MsMs 16438 Specdb::MsMs 3388324 Specdb::MsMs 3388325 Specdb::MsMs 3388326 Specdb::MsMs 3388327 Specdb::MsMs 3388328 Specdb::MsMs 3388329 HMDB35816 #<Reference:0x000055ce32767888> Herbs and Spices Unknown generic Root vegetables Unknown generic