1.0 2010-04-08 22:12:43 UTC 2019-11-26 03:13:56 UTC FDB016915 8-Angeloylegelolide Constituent of Achillea millefolium (yarrow). 8-Angeloylegelolide is found in herbs and spices. 8-Angeloylegelolide 8a-Angeloyloxy-3-oxaartabsin C19H24O6 348.3903 348.1572885 9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.0²,⁶]trideca-1(13),10-dien-7-yl (2E)-2-methylbut-2-enoate 9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.0²,⁶]trideca-1(13),10-dien-7-yl (2E)-2-methylbut-2-enoate 142449-63-6 C\C=C(/C)C(=O)OC1CC(C)(O)C2=COC(C)=C2C2OC(=O)C(C)C12 InChI=1S/C19H24O6/c1-6-9(2)17(20)24-13-7-19(5,22)12-8-23-11(4)15(12)16-14(13)10(3)18(21)25-16/h6,8,10,13-14,16,22H,7H2,1-5H3/b9-6+ UUYOHEAYCPQMKY-RMKNXTFCSA-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 Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Furans Gamma butyrolactones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cycloheptafuran Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Furan Gamma butyrolactone Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tertiary alcohol Tetrahydrofuran logp 2.69 ALOGPS logs -3.47 ALOGPS solubility 1.18e-01 g/l ALOGPS melting_point Mp 152-154° logp 2.52 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 (2E)-2-methylbut-2-enoate ChemAxon average_mass 348.3903 ChemAxon mono_mass 348.1572885 ChemAxon smiles C\C=C(/C)C(=O)OC1CC(C)(O)C2=COC(C)=C2C2OC(=O)C(C)C12 ChemAxon formula C19H24O6 ChemAxon inchi InChI=1S/C19H24O6/c1-6-9(2)17(20)24-13-7-19(5,22)12-8-23-11(4)15(12)16-14(13)10(3)18(21)25-16/h6,8,10,13-14,16,22H,7H2,1-5H3/b9-6+ ChemAxon inchikey UUYOHEAYCPQMKY-RMKNXTFCSA-N ChemAxon polar_surface_area 85.97 ChemAxon refractivity 90.65 ChemAxon polarizability 36.74 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13669 Specdb::CMs 45540 Specdb::CMs 174548 Specdb::MsMs 107532 Specdb::MsMs 107533 Specdb::MsMs 107534 Specdb::MsMs 174528 Specdb::MsMs 174529 Specdb::MsMs 174530 Specdb::MsMs 2784934 Specdb::MsMs 2784935 Specdb::MsMs 2784936 Specdb::MsMs 2923525 Specdb::MsMs 2923526 Specdb::MsMs 2923527 HMDB37773 #<Reference:0x000055ce328c7c50> Herbs and Spices Unknown generic