1.0 2010-04-08 22:07:28 UTC 2025-11-18 23:04:04 UTC FDB007140 Risbitin Risbitin, also known as rishitin, (1s-(1alpha,2beta,3alpha,7beta))-isomer, is a member of the class of compounds known as 1,2-diols. 1,2-diols are polyols containing an alcohol group at two adjacent positions. Risbitin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Risbitin can be found in potato, which makes risbitin a potential biomarker for the consumption of this food product. C14H22O2 222.328 222.161979948 (1S,2R,3R,7R)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol rishitin 18178-54-6 [H]O[C@]1([H])C([H])([H])C2=C(C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])O[H] InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1 XSCYYIVXGBKTOC-GZZJDILISA-N belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. 1,2-diols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Hydrocarbon derivatives Secondary alcohols 1,2-diol Aliphatic homopolycyclic compound Hydrocarbon derivative Secondary alcohol Sesquiterpenoids (C15) polyol logp 1.91 ALOGPS logs -2.17 ALOGPS solubility 1.51e+00 g/l ALOGPS logp 1.79 ChemAxon pka_strongest_acidic 13.69 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (1S,2R,3R,7R)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol ChemAxon average_mass 222.328 ChemAxon mono_mass 222.161979948 ChemAxon smiles [H]O[C@]1([H])C([H])([H])C2=C(C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])O[H] ChemAxon formula C14H22O2 ChemAxon inchi InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1 ChemAxon inchikey XSCYYIVXGBKTOC-GZZJDILISA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 65.66 ChemAxon polarizability 25.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5737 Specdb::MsMs 87465 Specdb::MsMs 87466 Specdb::MsMs 87467 Specdb::MsMs 149976 Specdb::MsMs 149977 Specdb::MsMs 149978 Specdb::MsMs 3603701 Specdb::MsMs 3603702 Specdb::MsMs 3603703 Specdb::MsMs 3603704 Specdb::MsMs 3603705 Specdb::MsMs 3603706 Garden tomato Type 1 specific Solanum lycopersicum 4081 Potato Type 1 specific Solanum tuberosum 4113