CAS 70110-50-8

Cholesteryl cervonate

Description:

Cholesteryl cervonate, with the CAS number 70110-50-8, is a chemical compound that belongs to the class of cholesteryl esters. It is formed by the esterification of cholesterol with cervonic acid, a polyunsaturated fatty acid. This compound is characterized by its hydrophobic nature due to the cholesterol backbone, which contributes to its role in biological membranes and lipid storage. Cholesteryl cervonate is typically found in various biological systems and is involved in lipid metabolism. Its structure includes a steroid nucleus, which is common to all sterols, and a long hydrocarbon chain from the fatty acid component. The presence of double bonds in the fatty acid chain imparts specific physical properties, such as fluidity and melting point characteristics. Cholesteryl esters like cholesteryl cervonate are important in the context of cardiovascular health, as they can influence cholesterol transport and metabolism in the body. Understanding its properties and behavior is crucial for research in biochemistry and pharmacology.

Formula: C₄₉H₇₆O₂

InChI: InChI=1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

InChI key: InChIKey=VOEVEGPMRIYYKC-HNJOWPRISA-N

SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CC2)[H])[H]

Synonyms:

• Cholesteryl (all-Z)-4,7,10,13,16,19-docosahexaenoate
• Cholesteryl cervonate
• Cholest-5-en-3-ol (3β)-, 3-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate
• Cholest-5-en-3-ol (3β)-, (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate