1.02010-04-08 22:06:56 UTC2019-11-26 03:00:54 UTCFDB006011DehydroabietaneDehydroabietane is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Dehydroabietane can be found in lemon balm, which makes dehydroabietane a potential biomarker for the consumption of this food product. 8,11,13-AbietatrieneAbieta-8,11,13-trieneAbietane, dehydro-AbietatrieneAbitatrieneAr-abietatrieneDehydroabietanDehydroabietanePodocarpa-8,11,13-triene, 13-isopropyl-C20H30270.4522270.234750961,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthreneCC(C)C1=CC=C2C(CCC3C(C)(C)CCCC23C)=C1InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3QUUCYKKMFLJLFS-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.DiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsDiterpenoidsAromatic homopolycyclic compoundsAromatic hydrocarbonsHydrophenanthrenesPolycyclic hydrocarbonsTetralinsUnsaturated hydrocarbonsAbietane diterpenoidAromatic homopolycyclic compoundAromatic hydrocarbonBenzenoidDiterpenoidHydrocarbonHydrophenanthrenePhenanthrenePolycyclic hydrocarbonTetralinUnsaturated hydrocarbona diterpenoidlogp7.07logs-6.96solubility2.94e-05 g/llogp6.56iupac1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthreneaverage_mass270.4522mono_mass270.23475096smilesCC(C)C1=CC=C2C(CCC3C(C)(C)CCCC23C)=C1formulaC20H30inchiInChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3inchikeyQUUCYKKMFLJLFS-UHFFFAOYSA-Npolar_surface_area0refractivity87.73polarizability34.79rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsMs80688Specdb::MsMs80689Specdb::MsMs80690Specdb::MsMs141621Specdb::MsMs141622Specdb::MsMs141623Specdb::MsMs3602408Specdb::MsMs3602409Specdb::MsMs3602410Specdb::MsMs3602411Specdb::MsMs3602412Specdb::MsMs3602413Lemon balmType 1specificMelissa officinalis39338anti bacterial145A substance that kills or slows the growth of bacteria.cytostatic858pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.