1.02010-04-08 22:05:10 UTC2018-05-28 22:11:04 UTCFDB001951Talaromycin AMycotoxin production by the chicken litter fungus (Talaromyces stipitatus).9-Ethyl-4-hydroxy-1,7-dioxaspiro[5.5]undecane-3-methanol, 9CIC12H22O4230.3007230.151809192(3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol(3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol83720-10-9CCC1CCC2(CC(O)C(CO)CO2)OC1InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3VDWRKBZMQNPUOB-UHFFFAOYSA-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.KetalsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsEthersAliphatic heteropolycyclic compoundsHydrocarbon derivativesOxacyclic compoundsOxanesPrimary alcoholsSecondary alcoholsAlcoholAliphatic heteropolycyclic compoundHydrocarbon derivativeKetalOrganoheterocyclic compoundOxacycleOxanePrimary alcoholSecondary alcohollogp0.9pka_strongest_acidic14.55pka_strongest_basic-2.7iupac(3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-olaverage_mass230.3007mono_mass230.151809192smilesCCC1CCC2(CC(O)C(CO)CO2)OC1formulaC12H22O4inchiInChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3inchikeyVDWRKBZMQNPUOB-UHFFFAOYSA-Npolar_surface_area58.92refractivity59.52polarizability25.44rotatable_bond_count2acceptor_count4donor_count2physiological_charge0formal_charge0