1.0 2026-09-22 00:48:58 UTC 2026-09-22 00:48:58 UTC FDB117419 sesamin 5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole C20H18O6 354.3533 354.110338308 5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole asarinin [H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2C1=CC2=C(OCO2)C=C1 InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 PEYUIKBAABKQKQ-AFHBHXEDSA-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 Benzenoids Benzodioxoles Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dialkyl ether Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetrahydrofuran Lignans Phenylpropanoids benzodioxoles lignan logp 2.25 ALOGPS logs -4.20 ALOGPS solubility 2.24e-02 g/l ALOGPS logp 2.45 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole ChemAxon average_mass 354.3533 ChemAxon mono_mass 354.110338308 ChemAxon smiles [H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2C1=CC2=C(OCO2)C=C1 ChemAxon formula C20H18O6 ChemAxon inchi InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 ChemAxon inchikey PEYUIKBAABKQKQ-AFHBHXEDSA-N ChemAxon polar_surface_area 55.38 ChemAxon refractivity 89.75 ChemAxon polarizability 36.74 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 146158 Specdb::MsMs 1229572 Specdb::MsMs 1229573 Specdb::MsMs 1229574 Specdb::MsMs 1345129 Specdb::MsMs 1345130 Specdb::MsMs 1345131 Specdb::MsMs 2662162 Specdb::MsMs 2662163 Specdb::MsMs 2662164 Specdb::MsMs 3020532 Specdb::MsMs 3020533 Specdb::MsMs 3020534