1.0 2010-04-08 22:12:43 UTC 2019-11-26 03:13:56 UTC FDB016914 8-Acetylegelolide Constituent of Achillea millefolium (yarrow). 8-Acetylegelolide is found in herbs and spices. 3-Oxa-achillicin 3-Oxaachillicin 8-Acetylegeloide 8-Acetylegelolide C16H20O6 308.3264 308.125988372 9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.0²,⁶]trideca-1(13),10-dien-7-yl acetate 9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.0²,⁶]trideca-1(13),10-dien-7-yl acetate 142449-62-5 CC1C2C(OC1=O)C1=C(C)OC=C1C(C)(O)CC2OC(C)=O InChI=1S/C16H20O6/c1-7-12-11(21-9(3)17)5-16(4,19)10-6-20-8(2)13(10)14(12)22-15(7)18/h6-7,11-12,14,19H,5H2,1-4H3 KOUVNGDGNNAPQW-UHFFFAOYSA-N belongs to the class of organic compounds known as cycloheptafurans. These are organic heterocyclic compounds containing a cycloheptane derivative fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Cycloheptafurans Organic compounds Organoheterocyclic compounds Cycloheptafurans Aromatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Furans Gamma butyrolactones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans Alcohol Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cycloheptafuran Dicarboxylic acid or derivatives Furan Gamma butyrolactone Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tertiary alcohol Tetrahydrofuran logp 1.72 ALOGPS logs -2.90 ALOGPS solubility 3.90e-01 g/l ALOGPS melting_point Mp 219-221° logp 0.75 ChemAxon pka_strongest_acidic 13.81 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.0²,⁶]trideca-1(13),10-dien-7-yl acetate ChemAxon average_mass 308.3264 ChemAxon mono_mass 308.125988372 ChemAxon smiles CC1C2C(OC1=O)C1=C(C)OC=C1C(C)(O)CC2OC(C)=O ChemAxon formula C16H20O6 ChemAxon inchi InChI=1S/C16H20O6/c1-7-12-11(21-9(3)17)5-16(4,19)10-6-20-8(2)13(10)14(12)22-15(7)18/h6-7,11-12,14,19H,5H2,1-4H3 ChemAxon inchikey KOUVNGDGNNAPQW-UHFFFAOYSA-N ChemAxon polar_surface_area 85.97 ChemAxon refractivity 75.97 ChemAxon polarizability 31.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13021 Specdb::CMs 45539 Specdb::CMs 164024 Specdb::MsMs 68226 Specdb::MsMs 68227 Specdb::MsMs 68228 Specdb::MsMs 126210 Specdb::MsMs 126211 Specdb::MsMs 126212 Specdb::MsMs 2293587 Specdb::MsMs 2293588 Specdb::MsMs 2293589 Specdb::MsMs 2645994 Specdb::MsMs 2645995 Specdb::MsMs 2645996 HMDB37772 #<Reference:0x000055ce32f25a70> Herbs and Spices Unknown generic