1.0 2010-04-08 22:05:09 UTC 2019-11-26 02:56:42 UTC FDB001890 [8]-Gingerdiol [8]-gingerdiol is a member of the class of compounds known as fatty alcohol esters. Fatty alcohol esters are ester derivatives of a fatty alcohol. [8]-gingerdiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [8]-gingerdiol can be found in ginger, which makes [8]-gingerdiol a potential biomarker for the consumption of this food product. 8-Gingediol C23H36O6 408.5283 408.251188884 3-(acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl acetate 3-(acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl acetate 863780-91-0 CCCCCCCC(CC(CCC1=CC=C(O)C(OC)=C1)OC(C)=O)OC(C)=O InChI=1S/C23H36O6/c1-5-6-7-8-9-10-20(28-17(2)24)16-21(29-18(3)25)13-11-19-12-14-22(26)23(15-19)27-4/h12,14-15,20-21,26H,5-11,13,16H2,1-4H3 BUACOWOGXVQEBF-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Ether Fatty alcohol ester Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound logp 5.37 ALOGPS logs -5.16 ALOGPS solubility 2.80e-03 g/l ALOGPS logp 4.95 ChemAxon pka_strongest_acidic 9.95 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 3-(acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl acetate ChemAxon average_mass 408.5283 ChemAxon mono_mass 408.251188884 ChemAxon smiles CCCCCCCC(CC(CCC1=CC=C(O)C(OC)=C1)OC(C)=O)OC(C)=O ChemAxon formula C23H36O6 ChemAxon inchi InChI=1S/C23H36O6/c1-5-6-7-8-9-10-20(28-17(2)24)16-21(29-18(3)25)13-11-19-12-14-22(26)23(15-19)27-4/h12,14-15,20-21,26H,5-11,13,16H2,1-4H3 ChemAxon inchikey BUACOWOGXVQEBF-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 111.75 ChemAxon polarizability 47.37 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87072 Specdb::MsMs 87073 Specdb::MsMs 87074 Specdb::MsMs 149499 Specdb::MsMs 149500 Specdb::MsMs 149501 Specdb::MsMs 3598954 Specdb::MsMs 3598955 Specdb::MsMs 3598956 Specdb::MsMs 3598957 Specdb::MsMs 3598958 Specdb::MsMs 3598959 Ginger Type 1 specific Zingiber officinale 94328