1.0 2010-04-08 22:12:10 UTC 2019-11-26 03:12:32 UTC FDB015980 (1alpha,4alpha,5beta,6alpha,11betaH)-1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide Constituent of Achillea millefolium (yarrow). (1alpha,4alpha,5beta,6alpha,11betaH)-1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide is found in herbs and spices. C15H22O4 266.3328 266.151809192 2-hydroxy-1,6-dimethyl-10-methylidene-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecan-5-one 2-hydroxy-1,6-dimethyl-10-methylidene-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecan-5-one CC1C2CCC(=C)C3CCC(C)(O3)C(O)C2OC1=O InChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-12(10)13(16)15(3)7-6-11(8)19-15/h9-13,16H,1,4-7H2,2-3H3 XJRRUWSFQFWDFM-UHFFFAOYSA-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 Carboxylic acid esters Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 1.59 ALOGPS logs -1.81 ALOGPS solubility 4.12e+00 g/l ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 13.03 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-hydroxy-1,6-dimethyl-10-methylidene-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecan-5-one ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CC1C2CCC(=C)C3CCC(C)(O3)C(O)C2OC1=O ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-8-4-5-10-9(2)14(17)18-12(10)13(16)15(3)7-6-11(8)19-15/h9-13,16H,1,4-7H2,2-3H3 ChemAxon inchikey XJRRUWSFQFWDFM-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 69.19 ChemAxon polarizability 28.18 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10420 Specdb::CMs 45173 Specdb::CMs 163606 Specdb::NmrOneD 138230 Specdb::NmrOneD 138231 Specdb::NmrOneD 138232 Specdb::NmrOneD 138233 Specdb::NmrOneD 138234 Specdb::NmrOneD 138235 Specdb::NmrOneD 138236 Specdb::NmrOneD 138237 Specdb::NmrOneD 138238 Specdb::NmrOneD 138239 Specdb::NmrOneD 138240 Specdb::NmrOneD 138241 Specdb::NmrOneD 138242 Specdb::NmrOneD 138243 Specdb::NmrOneD 138244 Specdb::NmrOneD 138245 Specdb::NmrOneD 138246 Specdb::NmrOneD 138247 Specdb::NmrOneD 138248 Specdb::NmrOneD 138249 Specdb::MsMs 95769 Specdb::MsMs 95770 Specdb::MsMs 95771 Specdb::MsMs 160101 Specdb::MsMs 160102 Specdb::MsMs 160103 Specdb::MsMs 3050141 Specdb::MsMs 3050142 Specdb::MsMs 3050143 Specdb::MsMs 3119830 Specdb::MsMs 3119831 Specdb::MsMs 3119832 HMDB37005 #<Reference:0x000055ce32361090> Herbs and Spices Unknown generic