1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:07 UTC FDB015734 Kobusone Constituent of Cyperus rotundus (nutgrass)and is) also in lavender oil. Kobusone is found in root vegetables. (-)-Kobusone 6,7-Epoxy-15-nor-3-caryophyllanone Caryophyllene keto epoxide C14H22O2 222.3233 222.161979948 4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one 4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one 24173-71-5 CC12CCC3C(CC3(C)C)C(=O)CCC1O2 InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3 UETZJEZFLKASPR-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteropolycyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organoheterocyclic compound Oxacycle Oxirane logp 2.50 ALOGPS logs -3.32 ALOGPS solubility 1.05e-01 g/l ALOGPS melting_point Mp 60-61° logp 2.76 ChemAxon pka_strongest_acidic 18.5 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one ChemAxon average_mass 222.3233 ChemAxon mono_mass 222.161979948 ChemAxon smiles CC12CCC3C(CC3(C)C)C(=O)CCC1O2 ChemAxon formula C14H22O2 ChemAxon inchi InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3 ChemAxon inchikey UETZJEZFLKASPR-UHFFFAOYSA-N ChemAxon polar_surface_area 29.6 ChemAxon refractivity 62.55 ChemAxon polarizability 25.45 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16791 Specdb::CMs 166322 Specdb::MsMs 75036 Specdb::MsMs 75037 Specdb::MsMs 75038 Specdb::MsMs 134580 Specdb::MsMs 134581 Specdb::MsMs 134582 Specdb::MsMs 2443063 Specdb::MsMs 2443064 Specdb::MsMs 2443065 Specdb::MsMs 2519649 Specdb::MsMs 2519650 Specdb::MsMs 2519651 HMDB36790 #<Reference:0x000055ce32c3d970> Root vegetables Unknown generic