1.0 2010-04-08 22:09:58 UTC 2018-05-28 23:33:37 UTC FDB012061 Talaromycin C Mycotoxin from Talaromyces stipitatus. Talaromycin C C12H22O4 230.3007 230.151809192 (3R,4R,9S)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (3R,4R,9S)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol 89885-86-9 CCC1CCC2(CC(O)C(CO)CO2)OC1 InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3 VDWRKBZMQNPUOB-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. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers logp 0.9 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (3R,4R,9S)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol ChemAxon average_mass 230.3007 ChemAxon mono_mass 230.151809192 ChemAxon smiles CCC1CCC2(CC(O)C(CO)CO2)OC1 ChemAxon formula C12H22O4 ChemAxon inchi InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3 ChemAxon inchikey VDWRKBZMQNPUOB-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 59.52 ChemAxon polarizability 25.59 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon