1.0 2010-04-08 22:09:44 UTC 2019-11-26 03:05:07 UTC FDB011600 Fragransin D3 Constituent of Myristica fragrans (nutmeg). Fragransin D3 is found in nutmeg. Fragransin D3 C22H28O6 388.4541 388.188588628 4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol 4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol 114422-24-1 COC1=CC(=CC(OC)=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(OC)C=C1 InChI=1S/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3 AGYZMBXYRZJNNA-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 Alkyl aryl ethers Anisoles Dialkyl ethers Dibenzylbutane lignans Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 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 O-dimethoxybenzene Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tetrahydrofuran logp 3.94 ALOGPS logs -4.73 ALOGPS solubility 7.19e-03 g/l ALOGPS logp 3.89 ChemAxon pka_strongest_acidic 9.3 ChemAxon pka_strongest_basic -4 ChemAxon iupac 4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol ChemAxon average_mass 388.4541 ChemAxon mono_mass 388.188588628 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(OC)C=C1 ChemAxon formula C22H28O6 ChemAxon inchi InChI=1S/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3 ChemAxon inchikey AGYZMBXYRZJNNA-UHFFFAOYSA-N ChemAxon polar_surface_area 66.38 ChemAxon refractivity 105.9 ChemAxon polarizability 42.34 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15036 Specdb::CMs 43351 Specdb::CMs 158450 Specdb::MsMs 69282 Specdb::MsMs 69283 Specdb::MsMs 69284 Specdb::MsMs 127521 Specdb::MsMs 127522 Specdb::MsMs 127523 Specdb::MsMs 2777408 Specdb::MsMs 2777409 Specdb::MsMs 2777410 Specdb::MsMs 2900982 Specdb::MsMs 2900983 Specdb::MsMs 2900984 HMDB33540 #<Reference:0x000055ce323fbed8> Nutmeg Type 1 specific Myristica fragrans 51089