1.0 2010-04-08 22:07:29 UTC 2019-11-26 03:01:33 UTC FDB007199 beta-Muurolene Beta-muurolene can be found in cloves, which makes beta-muurolene a potential biomarker for the consumption of this food product. C15H26 206.3669 206.203450832 (4S,4aS,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene (4S,4aS,8aR)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene [H][C@]12CC=C(C)C[C@@]1([H])[C@@H](CCC2C)C(C)C InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,12-15H,6-9H2,1-4H3/t12?,13-,14+,15-/m0/s1 IHQBZSSZQWCOOB-DKUMPPAJSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 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 Cadinane sesquiterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 5.13 ALOGPS logs -5.43 ALOGPS solubility 7.66e-04 g/l ALOGPS logp 4.85 ChemAxon iupac (4S,4aS,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene ChemAxon average_mass 206.3669 ChemAxon mono_mass 206.203450832 ChemAxon smiles [H][C@]12CC=C(C)C[C@@]1([H])[C@@H](CCC2C)C(C)C ChemAxon formula C15H26 ChemAxon inchi InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,12-15H,6-9H2,1-4H3/t12?,13-,14+,15-/m0/s1 ChemAxon inchikey IHQBZSSZQWCOOB-DKUMPPAJSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 67.75 ChemAxon polarizability 26.79 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 50151 Specdb::MsMs 50152 Specdb::MsMs 50153 Specdb::MsMs 142155 Specdb::MsMs 142156 Specdb::MsMs 142157 Specdb::MsMs 3603785 Specdb::MsMs 3603786 Specdb::MsMs 3603787 Specdb::MsMs 3603788 Specdb::MsMs 3603789 Specdb::MsMs 3603790 Cloves Type 1 specific Syzygium aromaticum 219868