1.0 2010-04-08 22:07:07 UTC 2019-11-26 03:01:06 UTC FDB006370 Cedranoxide Cedranoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cedranoxide can be found in pot marjoram, which makes cedranoxide a potential biomarker for the consumption of this food product. Cedroxide C14H22O 206.3239 206.167065326 (1S,4R,7S,11R,13R)-4,11-dimethyl-5-oxatetracyclo[5.4.2.0¹,⁸.0⁴,¹³]tridecane (1S,4R,7S,11R,13R)-4,11-dimethyl-5-oxatetracyclo[5.4.2.0¹,⁸.0⁴,¹³]tridecane C[C@@H]1CCC2[C@@H]3CO[C@]4(C)CC[C@]12C[C@H]34 InChI=1S/C14H22O/c1-9-3-4-11-10-8-15-13(2)5-6-14(9,11)7-12(10)13/h9-12H,3-8H2,1-2H3/t9-,10+,11?,12-,13-,14+/m1/s1 XTUCGACHIRHVPO-UOHALXPSSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 2.76 ALOGPS logs -5.06 ALOGPS solubility 1.79e-03 g/l ALOGPS logp 2.69 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (1S,4R,7S,11R,13R)-4,11-dimethyl-5-oxatetracyclo[5.4.2.0¹,⁸.0⁴,¹³]tridecane ChemAxon average_mass 206.3239 ChemAxon mono_mass 206.167065326 ChemAxon smiles C[C@@H]1CCC2[C@@H]3CO[C@]4(C)CC[C@]12C[C@H]34 ChemAxon formula C14H22O ChemAxon inchi InChI=1S/C14H22O/c1-9-3-4-11-10-8-15-13(2)5-6-14(9,11)7-12(10)13/h9-12H,3-8H2,1-2H3/t9-,10+,11?,12-,13-,14+/m1/s1 ChemAxon inchikey XTUCGACHIRHVPO-UOHALXPSSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 60.39 ChemAxon polarizability 24.46 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69984 Specdb::MsMs 69985 Specdb::MsMs 69986 Specdb::MsMs 128394 Specdb::MsMs 128395 Specdb::MsMs 128396 Specdb::MsMs 3602873 Specdb::MsMs 3602874 Specdb::MsMs 3602875 Specdb::MsMs 3602876 Specdb::MsMs 3602877 Specdb::MsMs 3602878 Pot marjoram Type 1 specific Origanum onites 452416 4.2 4.2 4.2 mg/100 g