1.0 2010-04-08 22:12:20 UTC 2025-11-19 01:45:50 UTC FDB016255 (8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide Constituent of Helianthus annuus (sunflower). (8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide is found in fats and oils. C13H20O3 224.2961 224.141244506 6-(2-hydroxyethyl)-3,7-dimethyl-2H,3H,3aH,4H,7H,8H,8aH-cyclohepta[b]furan-2-one 6-(2-hydroxyethyl)-3,7-dimethyl-3H,3aH,4H,7H,8H,8aH-cyclohepta[b]furan-2-one 342372-61-6 CC1C2CC=C(CCO)C(C)CC2OC1=O InChI=1S/C13H20O3/c1-8-7-12-11(9(2)13(15)16-12)4-3-10(8)5-6-14/h3,8-9,11-12,14H,4-7H2,1-2H3 MOXJTUNOIGNZKZ-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Primary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Tetrahydrofuran logp 2.21 ALOGPS logs -2.41 ALOGPS solubility 8.79e-01 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_acidic 16.99 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 6-(2-hydroxyethyl)-3,7-dimethyl-2H,3H,3aH,4H,7H,8H,8aH-cyclohepta[b]furan-2-one ChemAxon average_mass 224.2961 ChemAxon mono_mass 224.141244506 ChemAxon smiles CC1C2CC=C(CCO)C(C)CC2OC1=O ChemAxon formula C13H20O3 ChemAxon inchi InChI=1S/C13H20O3/c1-8-7-12-11(9(2)13(15)16-12)4-3-10(8)5-6-14/h3,8-9,11-12,14H,4-7H2,1-2H3 ChemAxon inchikey MOXJTUNOIGNZKZ-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 62.17 ChemAxon polarizability 25.4 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15303 Specdb::CMs 45279 Specdb::CMs 150175 Specdb::MsMs 90879 Specdb::MsMs 90880 Specdb::MsMs 90881 Specdb::MsMs 154143 Specdb::MsMs 154144 Specdb::MsMs 154145 Specdb::MsMs 2432311 Specdb::MsMs 2432312 Specdb::MsMs 2432313 Specdb::MsMs 2503757 Specdb::MsMs 2503758 Specdb::MsMs 2503759 HMDB37244 #<Reference:0x000055ce32164210> Fats and oils Unknown generic