1.0 2010-04-08 22:09:15 UTC 2025-11-18 23:21:32 UTC FDB010695 9-Hydroxy-3',4'-dimethoxy-3,4-methylenedioxy-9,9'-epoxylignan Constituent of Piper nigrum (pepper). 9-Hydroxy-3',4'-dimethoxy-3,4-methylenedioxy-9,9'-epoxylignan is found in herbs and spices. 3',4'-Dimethoxy-3',4'-desmethylenecubebin 9-Hydroxy-3',4'-dimethoxy-3,4-methylenedioxy-9,9'-epoxylignan C21H24O6 372.4117 372.1572885 3-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol 3-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol 67533-86-2 COC1=CC=C(CC2COC(O)C2CC2=CC=C3OCOC3=C2)C=C1OC InChI=1S/C21H24O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3 VHLUROMCVXTWNM-UHFFFAOYSA-N belongs to the class of organic compounds known as dibenzylbutyrolactols. These are lignan compounds containing a 3,4-dibenzyloxolan-2-ol moiety. Dibenzylbutyrolactols Organic compounds Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Dimethoxybenzenes Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Phenoxy compounds Tetrahydrofurans Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dibenzylbutyrolactol Dimethoxybenzene Ether Hemiacetal Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Tetrahydrofuran logp 2.51 ALOGPS logs -4.70 ALOGPS solubility 7.44e-03 g/l ALOGPS melting_point Mp 66° logp 3.25 ChemAxon pka_strongest_acidic 12.17 ChemAxon pka_strongest_basic -4 ChemAxon iupac 3-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol ChemAxon average_mass 372.4117 ChemAxon mono_mass 372.1572885 ChemAxon smiles COC1=CC=C(CC2COC(O)C2CC2=CC=C3OCOC3=C2)C=C1OC ChemAxon formula C21H24O6 ChemAxon inchi InChI=1S/C21H24O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3 ChemAxon inchikey VHLUROMCVXTWNM-UHFFFAOYSA-N ChemAxon polar_surface_area 66.38 ChemAxon refractivity 98.67 ChemAxon polarizability 39.26 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56010 Specdb::MsMs 56011 Specdb::MsMs 56012 Specdb::MsMs 111318 Specdb::MsMs 111319 Specdb::MsMs 111320 Specdb::MsMs 2824342 Specdb::MsMs 2824343 Specdb::MsMs 2824344 Specdb::MsMs 2855164 Specdb::MsMs 2855165 Specdb::MsMs 2855166 Specdb::CMs 24514 Specdb::CMs 42939 Specdb::CMs 146103 HMDB32734 #<Reference:0x000055ce2efe5540> Herbs and Spices Unknown generic