1.0 2010-04-08 22:11:46 UTC 2025-11-19 00:53:58 UTC FDB015303 (1beta,4alpha,5beta,6alpha,7alpha)-9-Aromadendrene Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Food flavouring C15H24 204.3511 204.187800768 1,1,2,5-tetramethyl-1H,1aH,1bH,2H,3H,4H,4aH,7H,7aH-cyclopropa[e]azulene 1,1,2,5-tetramethyl-1aH,1bH,2H,3H,4H,4aH,7H,7aH-cyclopropa[e]azulene 112421-20-2 CC1CCC2C1C1C(CC=C2C)C1(C)C InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3 DJAYTQZJAJXFDU-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Guaianes 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 Cyclic olefin Guaiane sesquiterpenoid Hydrocarbon Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 4.10 ALOGPS logs -5.05 ALOGPS solubility 1.80e-03 g/l ALOGPS logp 4.09 ChemAxon iupac 1,1,2,5-tetramethyl-1H,1aH,1bH,2H,3H,4H,4aH,7H,7aH-cyclopropa[e]azulene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC1CCC2C1C1C(CC=C2C)C1(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/h6,10-14H,5,7-8H2,1-4H3 ChemAxon inchikey DJAYTQZJAJXFDU-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.77 ChemAxon polarizability 26.17 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19509 Specdb::CMs 158481 Specdb::MsMs 72648 Specdb::MsMs 72649 Specdb::MsMs 72650 Specdb::MsMs 131622 Specdb::MsMs 131623 Specdb::MsMs 131624 Specdb::MsMs 2788648 Specdb::MsMs 2788649 Specdb::MsMs 2788650 Specdb::MsMs 2920202 Specdb::MsMs 2920203 Specdb::MsMs 2920204 HMDB36419 #<Reference:0x000055ce317efe78>