1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:14 UTC FDB003453 (1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide Constituent of Inula helenium (elecampane). (1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide is found in herbs and spices. C15H20O3 248.3175 248.141244506 (8Z)-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one (8Z)-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one 68776-52-3 C\C1=C\CCC2(C)OC2CC2C(C1)OC(=O)C2=C InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5- RYQABBMOWVCVPW-UITAMQMPSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Dialkyl ethers Enoate esters Epoxides Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Enoate ester Ether Gamma butyrolactone Germacrane sesquiterpenoid Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Sesquiterpenoid Terpene lactone Tetrahydrofuran logp 2.95 ALOGPS logs -3.11 ALOGPS solubility 1.91e-01 g/l ALOGPS melting_point Mp 131° logp 2.76 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (8Z)-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles C\C1=C\CCC2(C)OC2CC2C(C1)OC(=O)C2=C ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5- ChemAxon inchikey RYQABBMOWVCVPW-UITAMQMPSA-N ChemAxon polar_surface_area 38.83 ChemAxon refractivity 68.86 ChemAxon polarizability 26.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14996 Specdb::CMs 151113 Specdb::MsMs 87567 Specdb::MsMs 87568 Specdb::MsMs 87569 Specdb::MsMs 150090 Specdb::MsMs 150091 Specdb::MsMs 150092 Specdb::MsMs 2748844 Specdb::MsMs 2748845 Specdb::MsMs 2748846 Specdb::MsMs 2932665 Specdb::MsMs 2932666 Specdb::MsMs 2932667 HMDB31386 #<Reference:0x000055ce30661828> Herbs and Spices Unknown generic