1.0 2010-04-08 22:11:57 UTC 2019-11-26 03:11:57 UTC FDB015626 Acetylbalchanolide Constituent of yarrow (Achillea millefolium). Acetylbalchanolide is found in herbs and spices. Acetylbalchanolide C17H24O4 292.3701 292.167459256 3,6,10-trimethyl-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl acetate 3,6,10-trimethyl-2-oxo-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl acetate CC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O InChI=1S/C17H24O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,12,14-16H,5,7-8H2,1-4H3/b10-6+,11-9+ MNQOAYZWZSDAKZ-BBYAVRKXSA-N belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Germacranolides and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 3.38 ALOGPS logs -3.45 ALOGPS solubility 1.05e-01 g/l ALOGPS melting_point Mp 125° logp 2.77 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 3,6,10-trimethyl-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl acetate ChemAxon average_mass 292.3701 ChemAxon mono_mass 292.167459256 ChemAxon smiles CC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O ChemAxon formula C17H24O4 ChemAxon inchi InChI=1S/C17H24O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,12,14-16H,5,7-8H2,1-4H3/b10-6+,11-9+ ChemAxon inchikey MNQOAYZWZSDAKZ-BBYAVRKXSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 80.87 ChemAxon polarizability 31.65 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22460 Specdb::CMs 170044 Specdb::MsMs 75864 Specdb::MsMs 75865 Specdb::MsMs 75866 Specdb::MsMs 135579 Specdb::MsMs 135580 Specdb::MsMs 135581 Specdb::MsMs 2668270 Specdb::MsMs 2668271 Specdb::MsMs 2668272 Specdb::MsMs 3013247 Specdb::MsMs 3013248 Specdb::MsMs 3013249 HMDB36693 #<Reference:0x000055ce3168bc80> Herbs and Spices Unknown generic