1.0 2010-04-08 22:11:46 UTC 2019-11-26 03:11:24 UTC FDB015298 beta-Spathulene Constituent of the the oil of Schinus molle (California peppertree). beta-Spathulene is found in herbs and spices, beverages, and fruits. b-Spathulene beta-Spathulene C15H22 202.3352 202.172150704 1,1,2-trimethyl-5-methylidene-1H,1aH,1bH,4H,4aH,5H,6H,7H,7aH-cyclopropa[e]azulene 1,1,2-trimethyl-5-methylidene-1aH,1bH,4H,4aH,6H,7H,7aH-cyclopropa[e]azulene 53526-64-0 CC1=CCC2C1C1C(CCC2=C)C1(C)C InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3 HDUMORZKKNOYSS-UHFFFAOYSA-N belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. 5,10-cycloaromadendrane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Guaianes Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons 5,10-cycloaromadendrane sesquiterpenoid Aliphatic homopolycyclic compound Branched unsaturated hydrocarbon Cyclic olefin Guaiane sesquiterpenoid Hydrocarbon Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 3.94 ALOGPS logs -4.31 ALOGPS solubility 9.84e-03 g/l ALOGPS logp 3.74 ChemAxon iupac 1,1,2-trimethyl-5-methylidene-1H,1aH,1bH,4H,4aH,5H,6H,7H,7aH-cyclopropa[e]azulene ChemAxon average_mass 202.3352 ChemAxon mono_mass 202.172150704 ChemAxon smiles CC1=CCC2C1C1C(CCC2=C)C1(C)C ChemAxon formula C15H22 ChemAxon inchi InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3 ChemAxon inchikey HDUMORZKKNOYSS-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.55 ChemAxon polarizability 25.3 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16194 Specdb::CMs 174202 Specdb::MsMs 8144 Specdb::MsMs 8145 Specdb::MsMs 8146 Specdb::MsMs 14816 Specdb::MsMs 14817 Specdb::MsMs 14818 Specdb::MsMs 2669899 Specdb::MsMs 2669900 Specdb::MsMs 2669901 Specdb::MsMs 3009430 Specdb::MsMs 3009431 Specdb::MsMs 3009432 HMDB36416 #<Reference:0x000055ce33068b08> Beverages Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic