1.0 2010-04-08 22:05:57 UTC 2025-11-18 22:53:58 UTC FDB003797 Esters Esters is a member of the class of compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. Esters is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Esters can be found in pineapple, which makes esters a potential biomarker for the consumption of this food product. In chemistry, an ester is a chemical compound derived from an acid (organic or inorganic) in which at least one –OH (hydroxyl) group is replaced by an –O–alkyl (alkoxy) group. Usually, esters are derived from a carboxylic acid and an alcohol. Glycerides, which are fatty acid esters of glycerol, are important esters in biology, being one of the main classes of lipids, and making up the bulk of animal fats and vegetable oils. Esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Phosphoesters form the backbone of DNA molecules. Nitrate esters, such as nitroglycerin, are known for their explosive properties, while polyesters are important plastics, with monomers linked by ester moieties . 3-Acetylenic fatty acyl thioesters 3beta-Acetoxy-cholest-5-ene 5-Cholesten-3β-ol formate Cholest-5-en-3-ol (3β)-, formate Cholest-5-en-3-yl formate Cholest-5-en-3beta-yl formate Cholesterol ester Cholesterol esters Cholesteryl esters Cholesteryl formate Esters, cholesterol Esters, cholesteryl C28H46O2 414.674 414.349780721 (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl formate (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl formate 57-88-5 [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC=O InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 YEYCQJVCAMFWCO-PXBBAZSNSA-N belongs to the class of organic compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. Cholesteryl esters Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Cholesterols and derivatives Delta-5-steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholestane-skeleton Cholesterol Cholesteryl ester Delta-5-steroid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 7.24 ALOGPS logs -7.44 ALOGPS solubility 1.51e-05 g/l ALOGPS logp 7.51 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl formate ChemAxon average_mass 414.674 ChemAxon mono_mass 414.349780721 ChemAxon smiles [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC=O ChemAxon formula C28H46O2 ChemAxon inchi InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 ChemAxon inchikey YEYCQJVCAMFWCO-PXBBAZSNSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 125.28 ChemAxon polarizability 53.05 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89754 Specdb::MsMs 89755 Specdb::MsMs 89756 Specdb::MsMs 152742 Specdb::MsMs 152743 Specdb::MsMs 152744 Specdb::MsMs 3599465 Specdb::MsMs 3599466 Specdb::MsMs 3599467 Specdb::MsMs 3599468 Specdb::MsMs 3599469 Specdb::MsMs 3599470 50784 Apple Type 1 specific Malus pumila 283210 Pineapple Type 1 specific Ananas comosus 4615 12.55 12.55 12.55 mg/100 g