1.0 2010-04-08 22:10:35 UTC 2019-11-26 03:08:08 UTC FDB013216 (14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid Constituent of Juniperus communis (juniper). (14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid is found in fruits. C20H32O4 336.4657 336.230059512 5-(4,5-dihydroxy-3-methylidenepentyl)-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid 5-(4,5-dihydroxy-3-methylidenepentyl)-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C(O)CO)C(O)=O InChI=1S/C20H32O4/c1-13-7-9-17-19(3,10-5-11-20(17,4)18(23)24)15(13)8-6-14(2)16(22)12-21/h15-17,21-22H,1-2,5-12H2,3-4H3,(H,23,24) SHHPWUDUFQJUTF-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 1,2-diols Carbonyl compounds Carboxylic acids Fatty alcohols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols 1,2-diol Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Diterpenoid Fatty acyl Fatty alcohol Hydrocarbon derivative Labdane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 3.22 ALOGPS logs -3.43 ALOGPS solubility 1.24e-01 g/l ALOGPS logp 3.33 ChemAxon pka_strongest_acidic 4.67 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-(4,5-dihydroxy-3-methylidenepentyl)-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid ChemAxon average_mass 336.4657 ChemAxon mono_mass 336.230059512 ChemAxon smiles CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C(O)CO)C(O)=O ChemAxon formula C20H32O4 ChemAxon inchi InChI=1S/C20H32O4/c1-13-7-9-17-19(3,10-5-11-20(17,4)18(23)24)15(13)8-6-14(2)16(22)12-21/h15-17,21-22H,1-2,5-12H2,3-4H3,(H,23,24) ChemAxon inchikey SHHPWUDUFQJUTF-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 94.06 ChemAxon polarizability 38.4 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10032 Specdb::CMs 43997 Specdb::CMs 153778 Specdb::MsMs 107778 Specdb::MsMs 107779 Specdb::MsMs 107780 Specdb::MsMs 174849 Specdb::MsMs 174850 Specdb::MsMs 174851 Specdb::MsMs 2749051 Specdb::MsMs 2749052 Specdb::MsMs 2749053 Specdb::MsMs 2932893 Specdb::MsMs 2932894 Specdb::MsMs 2932895 HMDB34686 #<Reference:0x000055ce3240a8c0> Fruits Unknown generic