1.0 2019-08-26 17:01:07 UTC 2019-11-26 03:24:12 UTC FDB093513 hydroxysyringaresinol C15H18O9 342.3 342.09508216 (3aS,6aS)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol (3aS,6aS)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-ol OCC1OC(O)(C(O)C(O)C1O)C(=O)\C=C\C1=CC(O)=C(O)C=C1 InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23,24-10)11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-14,16-18,20-23H,6H2/b4-2+ VCUGMOIFALEVCM-DUXPYHPUSA-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 Alkyl aryl ethers Anisoles Dialkyl ethers Dimethoxybenzenes Furofuran lignans Furofurans Hydrocarbon derivatives Methoxyphenols Oxacyclic compounds Phenoxy compounds Tertiary alcohols Tetrahydrofurans Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Dialkyl ether Dimethoxybenzene Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tertiary alcohol Tetrahydrofuran logp 1.74 ALOGPS logs -3.18 ALOGPS solubility 2.85e-01 g/l ALOGPS logp 1.41 ChemAxon pka_strongest_acidic 9 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac (3aS,6aS)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol ChemAxon average_mass 342.3 ChemAxon mono_mass 342.09508216 ChemAxon smiles OCC1OC(O)(C(O)C(O)C1O)C(=O)\C=C\C1=CC(O)=C(O)C=C1 ChemAxon formula C15H18O9 ChemAxon inchi InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23,24-10)11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-14,16-18,20-23H,6H2/b4-2+ ChemAxon inchikey VCUGMOIFALEVCM-DUXPYHPUSA-N ChemAxon polar_surface_area 116.07 ChemAxon refractivity 108.91 ChemAxon polarizability 44.4 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3609199 Specdb::MsMs 3609200 Specdb::MsMs 3609201 Specdb::MsMs 3609202 Specdb::MsMs 3609203 Specdb::MsMs 3609204 Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949