1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:00 UTC FDB019037 ent-1(10)-Halimene-15,19-dioic acid Isol. (as di-Me ester) from seed-pod resin of Hymenaea courbaril. ent-1(10)-Halimene-15,19-dioic acid is found in fruits. C20H32O4 336.4657 336.230059512 5-(4-carboxy-3-methylbutyl)-1,5,6-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid 5-(4-carboxy-3-methylbutyl)-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid CC(CCC1(C)C(C)CCC2C1=CCCC2(C)C(O)=O)CC(O)=O InChI=1S/C20H32O4/c1-13(12-17(21)22)9-11-19(3)14(2)7-8-16-15(19)6-5-10-20(16,4)18(23)24/h6,13-14,16H,5,7-12H2,1-4H3,(H,21,22)(H,23,24) RGUIVLSKJWVPDX-UHFFFAOYSA-N belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring . Carbocyclic fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Organic oxides Aliphatic homopolycyclic compound Branched fatty acid Carbocyclic fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound logp 3.99 ALOGPS logs -4.32 ALOGPS solubility 1.61e-02 g/l ALOGPS logp 4.66 ChemAxon pka_strongest_acidic 4.53 ChemAxon iupac 5-(4-carboxy-3-methylbutyl)-1,5,6-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid ChemAxon average_mass 336.4657 ChemAxon mono_mass 336.230059512 ChemAxon smiles CC(CCC1(C)C(C)CCC2C1=CCCC2(C)C(O)=O)CC(O)=O ChemAxon formula C20H32O4 ChemAxon inchi InChI=1S/C20H32O4/c1-13(12-17(21)22)9-11-19(3)14(2)7-8-16-15(19)6-5-10-20(16,4)18(23)24/h6,13-14,16H,5,7-12H2,1-4H3,(H,21,22)(H,23,24) ChemAxon inchikey RGUIVLSKJWVPDX-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 93.88 ChemAxon polarizability 37.92 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21752 Specdb::CMs 46409 Specdb::CMs 133537 Specdb::CMs 141271 Specdb::MsMs 76806 Specdb::MsMs 76807 Specdb::MsMs 76808 Specdb::MsMs 136746 Specdb::MsMs 136747 Specdb::MsMs 136748 Specdb::MsMs 2384009 Specdb::MsMs 2384010 Specdb::MsMs 2384011 Specdb::MsMs 2581602 Specdb::MsMs 2581603 Specdb::MsMs 2581604 HMDB39441 #<Reference:0x000055ce325367a8> Fruits Unknown generic