1.0 2010-04-08 22:13:30 UTC 2019-11-26 03:15:42 UTC FDB018094 Isoachifolidiene Constituent of Achillea millefolium (yarrow). Isoachifolidiene is found in herbs and spices. Isoachifolidiene C20H24O5 344.4016 344.162373878 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,9aH,9bH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoate 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoate C\C=C(/C)C(=O)OC1CC2C(OC(=O)C2=C)C2C(C)=CC=C2C1(C)O InChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+ ITEVGBFEXWVGSM-UXBLZVDNSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic heteropolycyclic compounds Carbonyl compounds Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Enoate esters Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tertiary alcohol Tetrahydrofuran logp 2.88 ALOGPS logs -3.25 ALOGPS solubility 1.96e-01 g/l ALOGPS melting_point Mp 153° logp 2.86 ChemAxon pka_strongest_acidic 13.38 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,9aH,9bH-azuleno[4,5-b]furan-5-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 344.4016 ChemAxon mono_mass 344.162373878 ChemAxon smiles C\C=C(/C)C(=O)OC1CC2C(OC(=O)C2=C)C2C(C)=CC=C2C1(C)O ChemAxon formula C20H24O5 ChemAxon inchi InChI=1S/C20H24O5/c1-6-10(2)18(21)24-15-9-13-12(4)19(22)25-17(13)16-11(3)7-8-14(16)20(15,5)23/h6-8,13,15-17,23H,4,9H2,1-3,5H3/b10-6+ ChemAxon inchikey ITEVGBFEXWVGSM-UXBLZVDNSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 94.91 ChemAxon polarizability 37.09 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20724 Specdb::CMs 45981 Specdb::CMs 131268 Specdb::CMs 139002 Specdb::MsMs 53007 Specdb::MsMs 53008 Specdb::MsMs 53009 Specdb::MsMs 146418 Specdb::MsMs 146419 Specdb::MsMs 146420 Specdb::MsMs 2334133 Specdb::MsMs 2334134 Specdb::MsMs 2334135 Specdb::MsMs 2627615 Specdb::MsMs 2627616 Specdb::MsMs 2627617 HMDB38690 #<Reference:0x000055ce30d99a50> Herbs and Spices Unknown generic