1.0 2010-04-08 22:11:46 UTC 2018-05-29 01:17:59 UTC FDB015299 1-Epi-alpha-gurjunene Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Food flavouring 1-Epi-a-gurjunene 4-Aromadendrene C15H24 204.3511 204.187800768 1,1,4,7-tetramethyl-1H,1aH,2H,3H,4H,4aH,5H,6H,7bH-cyclopropa[e]azulene 1,1,4,7-tetramethyl-1aH,2H,3H,4H,4aH,5H,6H,7bH-cyclopropa[e]azulene 112421-19-9 CC1CCC2C(C3=C(C)CCC13)C2(C)C InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3 SPCXZDDGSGTVAW-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 Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons 5,10-cycloaromadendrane sesquiterpenoid Aliphatic homopolycyclic compound Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon a sesquiterpenoid logp 4.45 ALOGPS logs -4.22 ALOGPS solubility 1.23e-02 g/l ALOGPS logp 4.04 ChemAxon iupac 1,1,4,7-tetramethyl-1H,1aH,2H,3H,4H,4aH,5H,6H,7bH-cyclopropa[e]azulene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC1CCC2C(C3=C(C)CCC13)C2(C)C ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3 ChemAxon inchikey SPCXZDDGSGTVAW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.5 ChemAxon polarizability 26.03 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20816 Specdb::CMs 151799 Specdb::MsMs 52668 Specdb::MsMs 52669 Specdb::MsMs 52670 Specdb::MsMs 167271 Specdb::MsMs 167272 Specdb::MsMs 167273 Specdb::MsMs 2419152 Specdb::MsMs 2419153 Specdb::MsMs 2419154 Specdb::MsMs 2542781 Specdb::MsMs 2542782 Specdb::MsMs 2542783 HMDB36417 #<Reference:0x000055ce32342be0>