1.0 2011-05-20 20:14:46 UTC 2025-11-19 02:40:04 UTC FDB021846 (7E)-4-Deoxy-2,3-dihydromycosinol (7e)-4-deoxy-2,3-dihydromycosinol, also known as tonghaosu, is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (7e)-4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (7e)-4-deoxy-2,3-dihydromycosinol can be found in german camomile, which makes (7e)-4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product. (7E)-4-Deoxy-2,3-dihydromycosinol (E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene (E)-En-yn-dicycloether (E)-Tonghaosu 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiyn-1-ylidene)-, (2E)- 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiynylidene)-, (2E)- (9CI) 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiynylidene)-, (E)- trans-2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene trans-Enyne-dicycloether C13H12O2 200.2332 200.083729628 (2E)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene (2E)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene 50257-98-2 CC#CC#C\C=C1\OC2(CCCO2)C=C1 InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+ WTRXKCNFPMTAJV-KPKJPENVSA-N belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic heteropolycyclic compounds Dihydrofurans Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Dihydrofuran Hydrocarbon derivative Ketal Organoheterocyclic compound Oxacycle Tetrahydrofuran solid logp 3.30 ALOGPS logs -3.91 ALOGPS solubility 2.46e-02 g/l ALOGPS melting_point Mp 48.5-49.5° logp 2.73 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2E)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene ChemAxon average_mass 200.2332 ChemAxon mono_mass 200.083729628 ChemAxon smiles CC#CC#C\C=C1\OC2(CCCO2)C=C1 ChemAxon formula C13H12O2 ChemAxon inchi InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+ ChemAxon inchikey WTRXKCNFPMTAJV-KPKJPENVSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 62.47 ChemAxon polarizability 22.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1253407 Specdb::MsMs 1253408 Specdb::MsMs 1253409 Specdb::MsMs 1368631 Specdb::MsMs 1368632 Specdb::MsMs 1368633 Specdb::MsMs 3606949 Specdb::MsMs 3606950 Specdb::MsMs 3606951 Specdb::MsMs 3606952 Specdb::MsMs 3606953 Specdb::MsMs 3606954 German camomile Type 1 specific Matricaria recutita 127986