1.0 2010-04-08 22:04:58 UTC 2025-11-18 22:31:18 UTC FDB001448 (-)-Olivil (-)-olivil is a member of the class of compounds known as 7,9'-epoxylignans. 7,9'-epoxylignans are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively (-)-olivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-olivil can be found in olive, which makes (-)-olivil a potential biomarker for the consumption of this food product. C20H24O7 376.4004 376.152203122 (3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol (3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol 2955-23-9 COC1=CC(=CC=C1O)[C@H]1OC[C@](O)(CC2=CC(OC)=C(O)C=C2)[C@@H]1CO InChI=1S/C20H24O7/c1-25-17-7-12(3-5-15(17)22)9-20(24)11-27-19(14(20)10-21)13-4-6-16(23)18(8-13)26-2/h3-8,14,19,21-24H,9-11H2,1-2H3/t14-,19-,20-/m1/s1 BVHIKUCXNBQDEM-JSNMRZPZSA-N belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively. 7,9'-epoxylignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Dialkyl ethers Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Primary alcohols Tertiary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 7,9p-epoxylignan Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Dialkyl ether Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Primary alcohol Tertiary alcohol Tetrahydrofuran logp 1.45 ALOGPS logs -3.57 ALOGPS solubility 1.00e-01 g/l ALOGPS logp 1.49 ChemAxon pka_strongest_acidic 9.71 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol ChemAxon average_mass 376.4004 ChemAxon mono_mass 376.152203122 ChemAxon smiles COC1=CC(=CC=C1O)[C@H]1OC[C@](O)(CC2=CC(OC)=C(O)C=C2)[C@@H]1CO ChemAxon formula C20H24O7 ChemAxon inchi InChI=1S/C20H24O7/c1-25-17-7-12(3-5-15(17)22)9-20(24)11-27-19(14(20)10-21)13-4-6-16(23)18(8-13)26-2/h3-8,14,19,21-24H,9-11H2,1-2H3/t14-,19-,20-/m1/s1 ChemAxon inchikey BVHIKUCXNBQDEM-JSNMRZPZSA-N ChemAxon polar_surface_area 108.61 ChemAxon refractivity 98.28 ChemAxon polarizability 39.23 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88452 Specdb::MsMs 88453 Specdb::MsMs 88454 Specdb::MsMs 151188 Specdb::MsMs 151189 Specdb::MsMs 151190 Specdb::MsMs 3597388 Specdb::MsMs 3597389 Specdb::MsMs 3597390 Specdb::MsMs 3597391 Specdb::MsMs 3597392 Specdb::MsMs 3597393 Olive Type 1 specific Olea europaea 4146