1.0 2010-04-08 22:10:47 UTC 2019-11-26 03:08:35 UTC FDB013551 (13R,14R)-8-Labdene-13,14,15-triol Constituent of Madia sativa (Chile tarweed). (13R,14R)-8-Labdene-13,14,15-triol is found in fats and oils. C20H36O3 324.498 324.266445018 5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-methylpentane-1,2,3-triol 5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentane-1,2,3-triol CC1=C(CCC(C)(O)C(O)CO)C2(C)CCCC(C)(C)C2CC1 InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h16-17,21-23H,6-13H2,1-5H3 TWZQRBKMQYAKGQ-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Fatty alcohols Hydrocarbon derivatives Polyols Primary alcohols Secondary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Diterpenoid Fatty acyl Fatty alcohol Hydrocarbon derivative Labdane diterpenoid Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp 3.55 ALOGPS logs -3.83 ALOGPS solubility 4.79e-02 g/l ALOGPS logp 3.15 ChemAxon pka_strongest_acidic 13.16 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-methylpentane-1,2,3-triol ChemAxon average_mass 324.498 ChemAxon mono_mass 324.266445018 ChemAxon smiles CC1=C(CCC(C)(O)C(O)CO)C2(C)CCCC(C)(C)C2CC1 ChemAxon formula C20H36O3 ChemAxon inchi InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h16-17,21-23H,6-13H2,1-5H3 ChemAxon inchikey TWZQRBKMQYAKGQ-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 94.98 ChemAxon polarizability 38.99 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18833 Specdb::CMs 44109 Specdb::CMs 133652 Specdb::CMs 141386 Specdb::MsMs 89310 Specdb::MsMs 89311 Specdb::MsMs 89312 Specdb::MsMs 152214 Specdb::MsMs 152215 Specdb::MsMs 152216 Specdb::MsMs 2284906 Specdb::MsMs 2284907 Specdb::MsMs 2284908 Specdb::MsMs 3080595 Specdb::MsMs 3080596 Specdb::MsMs 3080597 HMDB34957 #<Reference:0x000055ce32fb4518> Fats and oils Unknown generic