1.02010-04-08 22:05:24 UTC2020-02-24 19:10:31 UTCFDB002492(-)-Wikstromolobtained from Pinus palustris (pitch pine) and Carissa edulis (agam). (-)-Wikstromol is found in fruits and sesame.(-)-Nortrachelogenin(-)-Wikstromol(+)-nortrachelogeninArbo 6DibenzylbutyrolactoneNortrachelogeninWikstromolC20H22O7374.3845374.1365530583-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one34444-37-6COC1=C(O)C=CC(CC2COC(=O)C2(O)CC2=CC(OC)=C(O)C=C2)=C1InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3ZITBJWXLODLDRH-UHFFFAOYSA-N belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.Dibenzylbutyrolactone lignansOrganic compoundsLignans, neolignans and related compoundsFuranoid lignansTetrahydrofuran lignansAromatic heteromonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAnisolesCarbonyl compoundsCarboxylic acid estersGamma butyrolactonesHydrocarbon derivativesLignan lactonesMethoxybenzenesMethoxyphenolsMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsPhenoxy compoundsTertiary alcoholsTetrahydrofurans1-hydroxy-2-unsubstituted benzenoidAlcoholAlkyl aryl etherAnisoleAromatic heteromonocyclic compoundBenzenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDibenzylbutyrolactoneEtherGamma butyrolactoneHydrocarbon derivativeLactoneLignan lactoneMethoxybenzeneMethoxyphenolMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundTertiary alcoholTetrahydrofuranlogp1.88logs-4.13solubility2.75e-02 g/llogp2.43pka_strongest_acidic9.64pka_strongest_basic-4.1iupac3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneaverage_mass374.3845mono_mass374.136553058smilesCOC1=C(O)C=CC(CC2COC(=O)C2(O)CC2=CC(OC)=C(O)C=C2)=C1formulaC20H22O7inchiInChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3inchikeyZITBJWXLODLDRH-UHFFFAOYSA-Npolar_surface_area105.45refractivity97.09polarizability38.04rotatable_bond_count6acceptor_count6donor_count3physiological_charge0formal_charge0Specdb::CMs20151Specdb::CMs42021Specdb::CMs156791Specdb::MsMs6524Specdb::MsMs6525Specdb::MsMs6526Specdb::MsMs7109Specdb::MsMs7110Specdb::MsMs7111Specdb::MsMs13196Specdb::MsMs13197Specdb::MsMs13198Specdb::MsMs13781Specdb::MsMs13782Specdb::MsMs13783Specdb::MsMs374641Specdb::MsMs440513Specdb::MsMs451270Specdb::MsMs452147Specdb::MsMs2382245Specdb::MsMs2382246Specdb::MsMs2382247Specdb::MsMs2579622Specdb::MsMs2579623Specdb::MsMs2579624HMDB30598#<Reference:0x00005556760a5470>#<Reference:0x00005556760a52b8>#<Reference:0x00005556760a4f98>#<Reference:0x00005556760a4cf0>#<Reference:0x00005556760a4a70>FruitsUnknowngenericSesameType 1specificSesamum orientale41820.0830.0829999970.082999997mg/100 g