1.0 2010-04-08 22:06:30 UTC 2019-11-26 03:00:19 UTC FDB005022 beta-Bergamotene Beta-bergamotene can be found in lemon and pot marjoram, which makes beta-bergamotene a potential biomarker for the consumption of these food products. C15H24 204.3511 204.187800768 (1R,5R)-6-methyl-2-methylidene-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]heptane (1R,5R)-6-methyl-2-methylidene-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]heptane CC(C)=CCCC1(C)[C@H]2C[C@@H]1C(=C)CC2 InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15?/m1/s1 DGZBGCMPRYFWFF-GRKKQISMSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Bicyclic monoterpenoid Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Olefin Pinane monoterpenoid Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 5.68 ALOGPS logs -4.92 ALOGPS solubility 2.44e-03 g/l ALOGPS logp 4.52 ChemAxon iupac (1R,5R)-6-methyl-2-methylidene-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]heptane ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC(C)=CCCC1(C)[C@H]2C[C@@H]1C(=C)CC2 ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15?/m1/s1 ChemAxon inchikey DGZBGCMPRYFWFF-GRKKQISMSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 67.45 ChemAxon polarizability 26.61 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78618 Specdb::MsMs 78619 Specdb::MsMs 78620 Specdb::MsMs 139014 Specdb::MsMs 139015 Specdb::MsMs 139016 Specdb::MsMs 3601250 Specdb::MsMs 3601251 Specdb::MsMs 3601252 Specdb::MsMs 3601253 Specdb::MsMs 3601254 Specdb::MsMs 3601255 Lemon Type 1 specific Citrus limon 2708 Pot marjoram Type 1 specific Origanum onites 452416 3.0 3.0 3.0 mg/100 g