1.0 2010-04-08 22:13:24 UTC 2019-11-26 03:15:28 UTC FDB017937 Tetracosyl ferulate Tetracosyl ferulate belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Tetracosyl ferulate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tetracosyl ferulate can be found in potato, which makes tetracosyl ferulate a potential biomarker for the consumption of this food product. Lignoceryl ferulate Tetracosyl (E)-ferulate Tetracosyl trans-ferulate C34H58O4 530.8219 530.433510344 tetracosyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate tetracosyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 101927-25-7 CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C/C1=CC(OC)=C(O)C=C1 InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26- VUUWEVURXOCTGG-SGEDCAFJSA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid esters Enoate esters Fatty acid esters Fatty alcohol esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Fatty alcohol ester Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene logp 10.38 ALOGPS logs -7.46 ALOGPS solubility 1.85e-05 g/l ALOGPS logp 12.27 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac tetracosyl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 530.8219 ChemAxon mono_mass 530.433510344 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C/C1=CC(OC)=C(O)C=C1 ChemAxon formula C34H58O4 ChemAxon inchi InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26- ChemAxon inchikey VUUWEVURXOCTGG-SGEDCAFJSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 162.17 ChemAxon polarizability 70.08 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73467 Specdb::MsMs 73468 Specdb::MsMs 73469 Specdb::MsMs 132657 Specdb::MsMs 132658 Specdb::MsMs 132659 Specdb::MsMs 3606284 Specdb::MsMs 3606285 Specdb::MsMs 3606286 Specdb::MsMs 3606287 Specdb::MsMs 3606288 Specdb::MsMs 3606289 207380 Potato Type 1 specific Solanum tuberosum 4113