1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:13 UTC FDB003440 (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide Constituent of Inula helenium (elecampane). (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is found in herbs and spices. (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide C19H26O4 318.4073 318.18310932 6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl 2-methylpropanoate 6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl 2-methylpropanoate CC(C)C(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C InChI=1S/C19H26O4/c1-11(2)18(20)22-16-10-15-14(5)19(21)23-17(15)9-12(3)7-6-8-13(16)4/h8-9,11,15-17H,5-7,10H2,1-4H3/b12-9+,13-8+ XXAILDIUKGAZIM-GHEQENTPSA-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 Carbonyl compounds Dicarboxylic acids and derivatives Enoate esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 4.14 ALOGPS logs -4.04 ALOGPS solubility 2.87e-02 g/l ALOGPS melting_point Mp 154° logp 4.27 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl 2-methylpropanoate ChemAxon average_mass 318.4073 ChemAxon mono_mass 318.18310932 ChemAxon smiles CC(C)C(=O)OC1CC2C(OC(=O)C2=C)\C=C(C)\CC\C=C1/C ChemAxon formula C19H26O4 ChemAxon inchi InChI=1S/C19H26O4/c1-11(2)18(20)22-16-10-15-14(5)19(21)23-17(15)9-12(3)7-6-8-13(16)4/h8-9,11,15-17H,5-7,10H2,1-4H3/b12-9+,13-8+ ChemAxon inchikey XXAILDIUKGAZIM-GHEQENTPSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 89.81 ChemAxon polarizability 35.27 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13467 Specdb::CMs 149299 Specdb::MsMs 54171 Specdb::MsMs 54172 Specdb::MsMs 54173 Specdb::MsMs 128169 Specdb::MsMs 128170 Specdb::MsMs 128171 Specdb::MsMs 2811218 Specdb::MsMs 2811219 Specdb::MsMs 2811220 Specdb::MsMs 2894372 Specdb::MsMs 2894373 Specdb::MsMs 2894374 HMDB31373 #<Reference:0x000055ce31f4a330> Herbs and Spices Unknown generic