1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:14 UTC FDB003454 (1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide Constituent of Inula helenium (elecampane). (1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide is found in herbs and spices. C15H20O3 248.3175 248.141244506 (8Z)-3,8-dimethyl-12-methylidene-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one (8Z)-3,8-dimethyl-12-methylidene-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one C\C1=C\CC2C(CC3(C)OC3CC1)OC(=O)C2=C InChI=1S/C15H20O3/c1-9-4-6-11-10(2)14(16)17-12(11)8-15(3)13(18-15)7-5-9/h4,11-13H,2,5-8H2,1,3H3/b9-4- ACDBVOJKXAGTJM-WTKPLQERSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteropolycyclic compounds Carbonyl compounds Dialkyl ethers Enoate esters Epoxides 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 Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxirane Tetrahydrofuran logp 2.95 ALOGPS logs -3.09 ALOGPS solubility 2.01e-01 g/l ALOGPS melting_point Mp 156° logp 2.69 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (8Z)-3,8-dimethyl-12-methylidene-4,14-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\CC2C(CC3(C)OC3CC1)OC(=O)C2=C ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-9-4-6-11-10(2)14(16)17-12(11)8-15(3)13(18-15)7-5-9/h4,11-13H,2,5-8H2,1,3H3/b9-4- ChemAxon inchikey ACDBVOJKXAGTJM-WTKPLQERSA-N ChemAxon polar_surface_area 38.83 ChemAxon refractivity 68.82 ChemAxon polarizability 27.03 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26056 Specdb::CMs 175441 Specdb::MsMs 91893 Specdb::MsMs 91894 Specdb::MsMs 91895 Specdb::MsMs 155385 Specdb::MsMs 155386 Specdb::MsMs 155387 Specdb::MsMs 2282848 Specdb::MsMs 2282849 Specdb::MsMs 2282850 Specdb::MsMs 3086824 Specdb::MsMs 3086825 Specdb::MsMs 3086826 HMDB31387 #<Reference:0x000055ce31c05e18> Herbs and Spices Unknown generic