1.0 2010-04-08 22:13:41 UTC 2019-11-26 03:16:06 UTC FDB018402 Episesartemin A Isolated from roots of Artemisia absinthium (wormwood). Episesartemin A is found in alcoholic beverages and herbs and spices. Episesartemin A C23H26O8 430.4477 430.162767808 6-[(3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2H-1,3-benzodioxole 6-[(3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2H-1,3-benzodioxole 77449-31-1 COC1=C2OCOC2=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(OC)C(OC)=C1 InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3 DHWUVPPRBIJJKS-UHFFFAOYSA-N belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. Furanoid lignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Methoxybenzenes Oxacyclic compounds Oxolanes Phenoxy compounds Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dialkyl ether Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxolane Phenol ether Phenoxy compound melting_point Mp 112-114° logp 2.19 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-[(3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2H-1,3-benzodioxole ChemAxon average_mass 430.4477 ChemAxon mono_mass 430.162767808 ChemAxon smiles COC1=C2OCOC2=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(OC)C(OC)=C1 ChemAxon formula C23H26O8 ChemAxon inchi InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3 ChemAxon inchikey DHWUVPPRBIJJKS-UHFFFAOYSA-N ChemAxon polar_surface_area 73.84 ChemAxon refractivity 109.83 ChemAxon polarizability 44.82 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Alcoholic beverages Unknown generic Herbs and Spices Unknown generic