1.0 2010-04-08 22:13:42 UTC 2019-11-26 03:16:08 UTC FDB018416 (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Isolated from the seeds of Sambucus nigra (elderberry). (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid is found in fruits. C18H30O6 342.4272 342.204238692 11-hydroxy-9,15,16-trioxooctadecanoic acid 11-hydroxy-9,15,16-trioxooctadecanoic acid 38076-39-0 CCC(=O)C(=O)CCCC(O)CC(=O)CCCCCCCC(O)=O InChI=1S/C18H30O6/c1-2-16(21)17(22)11-8-10-15(20)13-14(19)9-6-4-3-5-7-12-18(23)24/h15,20H,2-13H2,1H3,(H,23,24) DRPDZKNSZVIOQR-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Alpha-diketones Beta-hydroxy ketones Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Keto fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-diketone Beta-hydroxy ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Keto fatty acid Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.22 ALOGPS logs -3.78 ALOGPS solubility 5.67e-02 g/l ALOGPS logp 3.4 ChemAxon pka_strongest_acidic 4.55 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 11-hydroxy-9,15,16-trioxooctadecanoic acid ChemAxon average_mass 342.4272 ChemAxon mono_mass 342.204238692 ChemAxon smiles CCC(=O)C(=O)CCCC(O)CC(=O)CCCCCCCC(O)=O ChemAxon formula C18H30O6 ChemAxon inchi InChI=1S/C18H30O6/c1-2-16(21)17(22)11-8-10-15(20)13-14(19)9-6-4-3-5-7-12-18(23)24/h15,20H,2-13H2,1H3,(H,23,24) ChemAxon inchikey DRPDZKNSZVIOQR-UHFFFAOYSA-N ChemAxon polar_surface_area 108.74 ChemAxon refractivity 89.83 ChemAxon polarizability 38.66 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21873 Specdb::CMs 46162 Specdb::CMs 132122 Specdb::CMs 139856 Specdb::MsMs 80157 Specdb::MsMs 80158 Specdb::MsMs 80159 Specdb::MsMs 140943 Specdb::MsMs 140944 Specdb::MsMs 140945 Specdb::MsMs 2340627 Specdb::MsMs 2340628 Specdb::MsMs 2340629 Specdb::MsMs 2625731 Specdb::MsMs 2625732 Specdb::MsMs 2625733 HMDB38940 #<Reference:0x000055ce32ac46c0> Fruits Unknown generic