1.0 2010-04-08 22:09:44 UTC 2019-11-26 03:05:07 UTC FDB011601 Fragransin D2 Constituent of Myristica fragrans (nutmeg). Fragransin D2 is found in nutmeg and herbs and spices. Fragransin D2 C22H28O6 388.4541 388.188588628 4-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol 4-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol 114394-21-7 COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(OC)C(OC)=C1 InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3 XEDYWOVSWKYCOS-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 Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 7,7p-epoxylignan Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Dialkyl ether Dibenzylbutane lignan skeleton Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tetrahydrofuran logp 3.99 ALOGPS logs -4.73 ALOGPS solubility 7.24e-03 g/l ALOGPS logp 3.89 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -4 ChemAxon iupac 4-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol ChemAxon average_mass 388.4541 ChemAxon mono_mass 388.188588628 ChemAxon smiles COC1=CC(=CC=C1O)C1OC(C(C)C1C)C1=CC(OC)=C(OC)C(OC)=C1 ChemAxon formula C22H28O6 ChemAxon inchi InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3 ChemAxon inchikey XEDYWOVSWKYCOS-UHFFFAOYSA-N ChemAxon polar_surface_area 66.38 ChemAxon refractivity 105.9 ChemAxon polarizability 42.25 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13473 Specdb::CMs 43350 Specdb::CMs 131660 Specdb::CMs 139394 Specdb::MsMs 67497 Specdb::MsMs 67498 Specdb::MsMs 67499 Specdb::MsMs 125337 Specdb::MsMs 125338 Specdb::MsMs 125339 Specdb::MsMs 2761606 Specdb::MsMs 2761607 Specdb::MsMs 2761608 Specdb::MsMs 2947182 Specdb::MsMs 2947183 Specdb::MsMs 2947184 HMDB33539 #<Reference:0x000055ce325ffec8> Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089