1.0 2010-04-08 22:11:02 UTC 2019-11-26 03:09:26 UTC FDB014024 Oleuroside Constituent of Olea europaea (olive). Oleuroside is found in many foods, some of which are herbs and spices, fruits, fats and oils, and olive. C25H32O13 540.5138 540.18429111 methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylate 116383-31-4 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC(O)=C(O)C=C1 InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3 WWKVQWHAWPZZDB-UHFFFAOYSA-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 homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Daucane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Sesquiterpenoid Tertiary alcohol logp 0.22 ALOGPS logs -2.86 ALOGPS solubility 7.38e-01 g/l ALOGPS logp 0.021 ChemAxon pka_strongest_acidic 9.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate ChemAxon average_mass 540.5138 ChemAxon mono_mass 540.18429111 ChemAxon smiles COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC(O)=C(O)C=C1 ChemAxon formula C25H32O13 ChemAxon inchi InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3 ChemAxon inchikey WWKVQWHAWPZZDB-UHFFFAOYSA-N ChemAxon polar_surface_area 201.67 ChemAxon refractivity 127.54 ChemAxon polarizability 53.78 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108219 Specdb::MsMs 108220 Specdb::MsMs 108221 Specdb::MsMs 175392 Specdb::MsMs 175393 Specdb::MsMs 175394 Specdb::MsMs 2764716 Specdb::MsMs 2764717 Specdb::MsMs 2764718 Specdb::MsMs 2943724 Specdb::MsMs 2943725 Specdb::MsMs 2943726 Specdb::CMs 22268 Specdb::CMs 44344 Specdb::CMs 264212 Specdb::CMs 264213 Specdb::CMs 264214 Specdb::CMs 264215 Specdb::CMs 264216 Specdb::CMs 264217 Specdb::CMs 264218 Specdb::CMs 264219 Specdb::CMs 264220 Specdb::CMs 264221 Specdb::CMs 264222 Specdb::CMs 264223 Specdb::CMs 264224 Specdb::CMs 264225 Specdb::CMs 264226 Specdb::CMs 264227 Specdb::CMs 264228 Specdb::CMs 264229 Specdb::CMs 264230 Specdb::CMs 264231 Specdb::CMs 264232 Specdb::CMs 264233 Specdb::CMs 264234 HMDB35352 #<Reference:0x000055ce32c777d8> Fats and oils Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic Olive Type 1 specific Olea europaea 4146