CAS 474-25-9: Chenodeoxycholic acid

Description:Chenodeoxycholic acid (CDCA) is a bile acid that plays a crucial role in the digestion and absorption of dietary fats and fat-soluble vitamins in the intestine. It is a white to off-white crystalline powder that is soluble in water and organic solvents like ethanol and methanol. CDCA is synthesized in the liver from cholesterol and is a primary bile acid, meaning it is produced directly from cholesterol rather than being derived from other bile acids. Its chemical structure features a steroid nucleus with hydroxyl groups at specific positions, contributing to its amphipathic nature, which allows it to emulsify fats. CDCA is involved in the regulation of cholesterol metabolism and has been studied for its therapeutic potential in conditions such as gallstones and certain liver diseases. Additionally, it can influence the gut microbiome and has implications in metabolic health. As a naturally occurring substance, it is also used in various pharmaceutical formulations and dietary supplements.

Formula:C₂₄H₄₀O₄

InChI:InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

InChI key:InChIKey=RUDATBOHQWOJDD-BSWAIDMHSA-N

SMILES:O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C