1.0 2010-04-08 22:07:26 UTC 2025-11-18 23:03:42 UTC FDB007073 2-alpha-Ethoxydihydrophytuberin 2-alpha-ethoxydihydrophytuberin is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-alpha-ethoxydihydrophytuberin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-alpha-ethoxydihydrophytuberin can be found in potato, which makes 2-alpha-ethoxydihydrophytuberin a potential biomarker for the consumption of this food product. C19H32O5 340.4544 340.224974134 2-[(1R,3S,5R,8S,11R)-3-ethoxy-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.0¹,⁵]dodecan-11-yl]propan-2-yl acetate 2-[(1R,3S,5R,8S,11R)-3-ethoxy-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.0¹,⁵]dodecan-11-yl]propan-2-yl acetate CCO[C@@H]1C[C@@]2(C)OC[C@]3(C)CC[C@H](C[C@]23O1)C(C)(C)OC(C)=O InChI=1S/C19H32O5/c1-7-21-15-11-18(6)19(24-15)10-14(16(3,4)23-13(2)20)8-9-17(19,5)12-22-18/h14-15H,7-12H2,1-6H3/t14-,15+,17+,18-,19-/m1/s1 WZOSFKXVOJBVII-UWAKZDDMSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Dialkyl ethers Furofurans Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Tetrahydrofurans Acetal Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Furofuran Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 3.51 ALOGPS logs -4.31 ALOGPS solubility 1.66e-02 g/l ALOGPS logp 2.92 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-[(1R,3S,5R,8S,11R)-3-ethoxy-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.0¹,⁵]dodecan-11-yl]propan-2-yl acetate ChemAxon average_mass 340.4544 ChemAxon mono_mass 340.224974134 ChemAxon smiles CCO[C@@H]1C[C@@]2(C)OC[C@]3(C)CC[C@H](C[C@]23O1)C(C)(C)OC(C)=O ChemAxon formula C19H32O5 ChemAxon inchi InChI=1S/C19H32O5/c1-7-21-15-11-18(6)19(24-15)10-14(16(3,4)23-13(2)20)8-9-17(19,5)12-22-18/h14-15H,7-12H2,1-6H3/t14-,15+,17+,18-,19-/m1/s1 ChemAxon inchikey WZOSFKXVOJBVII-UWAKZDDMSA-N ChemAxon polar_surface_area 53.99 ChemAxon refractivity 89.27 ChemAxon polarizability 37.76 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96006 Specdb::MsMs 96007 Specdb::MsMs 96008 Specdb::MsMs 160401 Specdb::MsMs 160402 Specdb::MsMs 160403 Specdb::MsMs 3603599 Specdb::MsMs 3603600 Specdb::MsMs 3603601 Specdb::MsMs 3603602 Specdb::MsMs 3603603 Specdb::MsMs 3603604 Potato Type 1 specific Solanum tuberosum 4113