1.0 2010-04-08 22:06:25 UTC 2025-11-18 22:57:37 UTC FDB004831 beta-Copaene Beta-copaene, also known as β-copaene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Beta-copaene can be found in a number of food items such as peppermint, common sage, corn, and star anise, which makes beta-copaene a potential biomarker for the consumption of these food products. Copaene, or more precisely, α-copaene, is the common (or trivial) chemical name of an oily liquid hydrocarbon that is found in a number of essential oil-producing plants. The name is derived from that of the resin-producing tropical copaiba tree, Copaifera langsdorfii, from which the compound was first isolated in 1914. Its structure, including the chirality, was determined in 1963. The double-bond isomer with an exocyclic-methylene group, β-copaene, was first reported in 1967 . C15H24 204.3511 204.187800768 (1S,6S,7S,8S)-1-methyl-3-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]decane (1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylidenetricyclo[4.4.0.0²,⁷]decane [H][C@@]12C3C(=C)CC[C@]1([H])[C@]3(C)CC[C@H]2C(C)C InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1 UPVZPMJSRSWJHQ-XIQJJJERSA-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 Copaane sesquiterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon bridged compound sesquiterpene logp 3.38 ALOGPS logs -4.95 ALOGPS solubility 2.31e-03 g/l ALOGPS logp 4.15 ChemAxon iupac (1S,6S,7S,8S)-1-methyl-3-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]decane ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles [H][C@@]12C3C(=C)CC[C@]1([H])[C@]3(C)CC[C@H]2C(C)C ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1 ChemAxon inchikey UPVZPMJSRSWJHQ-XIQJJJERSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 64.7 ChemAxon polarizability 35.81 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 3922 Specdb::MsMs 89283 Specdb::MsMs 89284 Specdb::MsMs 89285 Specdb::MsMs 152184 Specdb::MsMs 152185 Specdb::MsMs 152186 Specdb::MsMs 3601022 Specdb::MsMs 3601023 Specdb::MsMs 3601024 Specdb::MsMs 3601025 Specdb::MsMs 3601026 Specdb::MsMs 3601027 Allspice Type 1 specific Pimenta dioica 375272 Common sage Type 1 specific Salvia officinalis 38868 Corn Type 1 specific Zea mays 4577 Guava Type 1 specific Psidium guajava 120290 Peppermint Type 1 specific Mentha X piperita 34256 Roman camomile Type 1 specific Chamaemelum nobile 99037 Spearmint Type 1 specific Mentha spicata 29719 79.25 79.25 79.25 mg/100 g Star anise Type 1 specific Illicium verum 124778 50.0 50.0 50.0 mg/100 g