1.02010-04-08 22:11:55 UTC2019-11-26 03:11:52 UTCFDB015570T-MuurololT-muurolol, also known as 10-epi-alpha-muurolol or alpha-epi-muurolol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. T-muurolol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). T-muurolol is a herbal, spicy, and weak spice tasting compound found in allspice, lemon balm, and white mustard, which makes T-muurolol a potential biomarker for the consumption of these food products. (-)-T-Muurololα-epi-Muurolol1beta,10betaH-Cadin-4-en-10-ol (8CI)epi- α-Muurulolepi-α-Muurolepi-α-MuurololT-Muurololtau-MuurololC15H26O222.3663222.198365454(1S,4S,4aR,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol(1S,4S,4aR,8aS)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol19912-62-0[H][C@@]12C=C(C)CC[C@]1([H])[C@@](C)(O)CC[C@H]2C(C)CInChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1LHYHMMRYTDARSZ-AJNGGQMLSA-Nlogp3.52logs-3.60solubility5.57e-02 g/lmelting_pointMp 80.5-81.5°logp3.54pka_strongest_basic-0.59iupac(1S,4S,4aR,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-olaverage_mass222.3663mono_mass222.198365454smiles[H][C@@]12C=C(C)CC[C@]1([H])[C@@](C)(O)CC[C@H]2C(C)CformulaC15H26OinchiInChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1inchikeyLHYHMMRYTDARSZ-AJNGGQMLSA-Npolar_surface_area20.23refractivity69.43polarizability27.41rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsMs54954Specdb::MsMs54955Specdb::MsMs54956Specdb::MsMs150306Specdb::MsMs150307Specdb::MsMs150308Specdb::MsMs3605824Specdb::MsMs3605825Specdb::MsMs3605826Specdb::MsMs3606874Specdb::MsMs3606875Specdb::MsMs3606876AllspiceType 1specificPimenta dioica375272Lemon balmType 1specificMelissa officinalis393382.252.252.25mg/100 gWhite mustardType 1specificSinapis alba3728herbherbalspicyweak spiceweakspice