1.0 2010-04-08 22:10:47 UTC 2019-11-26 03:08:35 UTC FDB013552 (13R,14R)-7-Labdene-13,14,15-triol Constituent of Madia sativa (Chile tarweed). (13R,14R)-7-Labdene-13,14,15-triol is found in fats and oils. C20H36O3 324.498 324.266445018 5-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-methylpentane-1,2,3-triol 5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentane-1,2,3-triol CC1=CCC2C(C)(C)CCCC2(C)C1CCC(C)(O)C(O)CO 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/h7,15-17,21-23H,6,8-13H2,1-5H3 WWUAKADIANYYEA-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 4.07 ALOGPS logs -3.80 ALOGPS solubility 5.10e-02 g/l ALOGPS logp 3.19 ChemAxon pka_strongest_acidic 13.17 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-(2,5,5,8a-tetramethyl-1,4,4a,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=CCC2C(C)(C)CCCC2(C)C1CCC(C)(O)C(O)CO 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/h7,15-17,21-23H,6,8-13H2,1-5H3 ChemAxon inchikey WWUAKADIANYYEA-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 95.24 ChemAxon polarizability 38.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7943 Specdb::MsMs 7944 Specdb::MsMs 7945 Specdb::MsMs 14615 Specdb::MsMs 14616 Specdb::MsMs 14617 Specdb::MsMs 2377783 Specdb::MsMs 2377784 Specdb::MsMs 2377785 Specdb::MsMs 2561829 Specdb::MsMs 2561830 Specdb::MsMs 2561831 Specdb::CMs 10579 Specdb::CMs 44110 Specdb::CMs 159985 HMDB34958 #<Reference:0x000055ce30254a50> Fats and oils Unknown generic