1.0 2010-04-08 22:15:05 UTC 2019-11-26 03:19:03 UTC FDB020518 Annuolide D Constituent of Helianthus annuus (sunflower). Annuolide D is found in fats and oils. Annuolide D C15H20O3 248.3175 248.141244506 5-hydroxy-3-methyl-6,9-dimethylidene-dodecahydroazuleno[4,5-b]furan-2-one 5-hydroxy-3-methyl-6,9-dimethylidene-octahydro-3H-azuleno[4,5-b]furan-2-one 152442-52-9 CC1C2CC(O)C(=C)C3CCC(=C)C3C2OC1=O InChI=1S/C15H20O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h9-14,16H,1-2,4-6H2,3H3 NMUKFBVCUMTQOB-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Guaianolides and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Gamma butyrolactones Guaianes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Gamma butyrolactone Guaiane sesquiterpenoid Guaianolide-skeleton Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 1.57 ALOGPS logs -2.24 ALOGPS solubility 1.42e+00 g/l ALOGPS logp 1.7 ChemAxon pka_strongest_acidic 14.61 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-3-methyl-6,9-dimethylidene-dodecahydroazuleno[4,5-b]furan-2-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC1C2CC(O)C(=C)C3CCC(=C)C3C2OC1=O ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-7-4-5-10-8(2)12(16)6-11-9(3)15(17)18-14(11)13(7)10/h9-14,16H,1-2,4-6H2,3H3 ChemAxon inchikey NMUKFBVCUMTQOB-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 67.68 ChemAxon polarizability 27.4 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12882 Specdb::CMs 45760 Specdb::CMs 156613 Specdb::MsMs 105972 Specdb::MsMs 105973 Specdb::MsMs 105974 Specdb::MsMs 172599 Specdb::MsMs 172600 Specdb::MsMs 172601 Specdb::MsMs 3060640 Specdb::MsMs 3060641 Specdb::MsMs 3060642 Specdb::MsMs 3110046 Specdb::MsMs 3110047 Specdb::MsMs 3110048 HMDB38326 #<Reference:0x000055ce32c4b318> Fats and oils Unknown generic