1.0 2010-04-08 22:09:58 UTC 2019-11-26 03:06:06 UTC FDB012069 Dehydrodiferulic dilactone Constituent of the cell walls of wheat and barley. Dehydrodiferulic dilactone is found in cereals and cereal products. Dehydrodiferulic dilactone C20H18O8 386.3521 386.100167552 3,6-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1,4-dione 3,6-bis(4-hydroxy-3-methoxyphenyl)-tetrahydrofuro[3,4-c]furan-1,4-dione 13962-76-0 COC1=C(O)C=CC(=C1)C1OC(=O)C2C(OC(=O)C12)C1=CC(OC)=C(O)C=C1 InChI=1S/C20H18O8/c1-25-13-7-9(3-5-11(13)21)17-15-16(20(24)27-17)18(28-19(15)23)10-4-6-12(22)14(8-10)26-2/h3-8,15-18,21-22H,1-2H3 DNJFYRXUTBVKIJ-UHFFFAOYSA-N belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others. Lignan lactones Organic compounds Lignans, neolignans and related compounds Lignan lactones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Furofuran lignans Furofurans Gamma butyrolactones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Ether Furanoid lignan Furofuran Furofuran lignan skeleton Gamma butyrolactone Hydrocarbon derivative Lactone Lignan lactone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tetrahydrofuran lignan logp 2.88 ALOGPS logs -3.30 ALOGPS solubility 1.93e-01 g/l ALOGPS logp 2.1 ChemAxon pka_strongest_acidic 9.61 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3,6-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1,4-dione ChemAxon average_mass 386.3521 ChemAxon mono_mass 386.100167552 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OC(=O)C2C(OC(=O)C12)C1=CC(OC)=C(O)C=C1 ChemAxon formula C20H18O8 ChemAxon inchi InChI=1S/C20H18O8/c1-25-13-7-9(3-5-11(13)21)17-15-16(20(24)27-17)18(28-19(15)23)10-4-6-12(22)14(8-10)26-2/h3-8,15-18,21-22H,1-2H3 ChemAxon inchikey DNJFYRXUTBVKIJ-UHFFFAOYSA-N ChemAxon polar_surface_area 111.52 ChemAxon refractivity 94.7 ChemAxon polarizability 37.39 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16780 Specdb::CMs 43554 Specdb::CMs 147917 Specdb::MsMs 85176 Specdb::MsMs 85177 Specdb::MsMs 85178 Specdb::MsMs 147219 Specdb::MsMs 147220 Specdb::MsMs 147221 Specdb::MsMs 2304675 Specdb::MsMs 2304676 Specdb::MsMs 2304677 Specdb::MsMs 2657107 Specdb::MsMs 2657108 Specdb::MsMs 2657109 HMDB33876 #<Reference:0x000055ce315f22b0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic