1.0 2010-04-08 22:14:08 UTC 2025-11-19 02:16:51 UTC FDB019092 ent-8(17),13(16),14-Labdatrien-18-oic acid Isolated from seed pods of Hymenaea courbaril (copinol). ent-8(17),13(16),14-Labdatrien-18-oic acid is found in fruits. C20H30O2 302.451 302.224580204 1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-en-1-yl)-decahydronaphthalene-1-carboxylic acid 1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-en-1-yl)-hexahydro-2H-naphthalene-1-carboxylic acid CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C=C)C(O)=O InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22) JEGUVXRNDRXUDN-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 Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Diterpenoid Hydrocarbon derivative Labdane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.82 ALOGPS logs -5.27 ALOGPS solubility 1.61e-03 g/l ALOGPS logp 5.39 ChemAxon pka_strongest_acidic 4.88 ChemAxon iupac 1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-en-1-yl)-decahydronaphthalene-1-carboxylic acid ChemAxon average_mass 302.451 ChemAxon mono_mass 302.224580204 ChemAxon smiles CC12CCCC(C)(C1CCC(=C)C2CCC(=C)C=C)C(O)=O ChemAxon formula C20H30O2 ChemAxon inchi InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22) ChemAxon inchikey JEGUVXRNDRXUDN-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 90.97 ChemAxon polarizability 35.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16567 Specdb::CMs 46425 Specdb::CMs 172781 Specdb::MsMs 12119 Specdb::MsMs 12120 Specdb::MsMs 12121 Specdb::MsMs 18791 Specdb::MsMs 18792 Specdb::MsMs 18793 Specdb::MsMs 2280391 Specdb::MsMs 2280392 Specdb::MsMs 2280393 Specdb::MsMs 3084409 Specdb::MsMs 3084410 Specdb::MsMs 3084411 HMDB39486 #<Reference:0x000055ce335ca6f0> Fruits Unknown generic