1.0 2010-04-08 22:11:56 UTC 2025-11-19 00:56:28 UTC FDB015591 Ketopelenolide a From Artemisia absinthium (wormwood). Ketopelenolide a is found in alcoholic beverages and herbs and spices. 3-Oxo-1(10)-germacren-12,6-olide Ketopelenolid-a Ketopelenolide a Oxopelenolide a C15H22O3 250.3334 250.15689457 3,6,10-trimethyl-2H,3H,3aH,4H,5H,8H,9H,10H,11H,11aH-cyclodeca[b]furan-2,9-dione 3,6,10-trimethyl-3H,3aH,4H,5H,8H,10H,11H,11aH-cyclodeca[b]furan-2,9-dione 17909-92-1 CC1C2CC\C(C)=C/CC(=O)C(C)CC2OC1=O InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5- KLZWSNKEPLKAOS-UITAMQMPSA-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 Carboxylic acid esters Cyclic ketones Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 2.69 ALOGPS logs -2.97 ALOGPS solubility 2.70e-01 g/l ALOGPS melting_point Mp 114° logp 3 ChemAxon pka_strongest_acidic 16.15 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 3,6,10-trimethyl-2H,3H,3aH,4H,5H,8H,9H,10H,11H,11aH-cyclodeca[b]furan-2,9-dione ChemAxon average_mass 250.3334 ChemAxon mono_mass 250.15689457 ChemAxon smiles CC1C2CC\C(C)=C/CC(=O)C(C)CC2OC1=O ChemAxon formula C15H22O3 ChemAxon inchi InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5- ChemAxon inchikey KLZWSNKEPLKAOS-UITAMQMPSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 70.11 ChemAxon polarizability 27.94 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16725 Specdb::CMs 164045 Specdb::MsMs 83430 Specdb::MsMs 83431 Specdb::MsMs 83432 Specdb::MsMs 145029 Specdb::MsMs 145030 Specdb::MsMs 145031 Specdb::MsMs 2789895 Specdb::MsMs 2789896 Specdb::MsMs 2789897 Specdb::MsMs 2919791 Specdb::MsMs 2919792 Specdb::MsMs 2919793 HMDB0036664 Alcoholic beverages Unknown generic Herbs and Spices Unknown generic