1.0 2010-04-08 22:09:43 UTC 2019-11-26 03:05:06 UTC FDB011594 Fragransin C1 Isolated from Myristica fragrans (nutmeg). Fragransin C1 is found in nutmeg and herbs and spices. (+)-Fragransin C1 4,4'-Dihydroxy-3,3',5-trimethoxy-7,7'-epoxylignan Fragransin C1 Machilin H C21H26O6 374.4275 374.172938564 4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol 4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol 112572-57-3 COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(O)C(OC)=C1 InChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3 KBIHHHDCLJQNHG-UHFFFAOYSA-N belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton. 7,7'-epoxylignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Dialkyl ethers Dibenzylbutane lignans Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Oxacyclic compounds Oxolanes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 7,7p-epoxylignan Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Dialkyl ether Dibenzylbutane lignan skeleton Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxolane Phenol Phenol ether Phenoxy compound logp 3.75 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -4 ChemAxon iupac 4-[(2S,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol ChemAxon average_mass 374.4275 ChemAxon mono_mass 374.172938564 ChemAxon smiles COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(O)C(OC)=C1 ChemAxon formula C21H26O6 ChemAxon inchi InChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3 ChemAxon inchikey KBIHHHDCLJQNHG-UHFFFAOYSA-N ChemAxon polar_surface_area 77.38 ChemAxon refractivity 101.41 ChemAxon polarizability 40.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089