3-Oxo-7-hydroxychol-4-enoic acid

For research use only. Not for therapeutic Use.

  • CAT Number: R025076
  • CAS Number: 14772-95-3
  • Molecular Formula: C24H36O4
  • Molecular Weight: 388.54
  • Purity: ≥95%
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3-Oxo-7-hydroxychol-4-enoic acid(Cat No.:R025076)is a bile acid intermediate involved in the biosynthesis of primary bile acids from cholesterol via the acidic (or alternative) pathway. It features a 3-oxo group, a 7-hydroxyl group, and a double bond at the 4-position of the steroid nucleus, contributing to its distinct biochemical properties. This compound plays a key role in cholesterol catabolism and hepatic lipid metabolism. It is often used in studies of bile acid synthesis disorders, liver function, and metabolic diseases. Its unique structure makes it a valuable marker in biochemical and clinical research.


CAS Number 14772-95-3
Synonyms

(4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Molecular Formula C24H36O4
Purity ≥95%
IUPAC Name (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI InChI=1S/C24H36O4/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/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey CFLVYJJIZHNITM-NLXMLWGDSA-N
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C
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