Cas no 566-17-6 (Isodeoxycholic Acid)

Isodeoxycholic Acid is a secondary bile acid derivative, structurally similar to deoxycholic acid but with an altered hydroxyl group position. It exhibits enhanced solubility and stability, making it valuable in biochemical research and pharmaceutical applications. The compound is particularly useful in studying bile acid metabolism, membrane interactions, and as a reference standard in analytical methods. Its unique structure allows for selective modulation of nuclear receptors, such as FXR and TGR5, contributing to research in metabolic disorders and liver function. Isodeoxycholic Acid is also employed in synthetic chemistry for derivatization and as an intermediate in steroid synthesis. High purity grades ensure reproducibility in experimental outcomes.
Isodeoxycholic Acid structure
Isodeoxycholic Acid structure
Product Name:Isodeoxycholic Acid
CAS No:566-17-6
MF:C24H40O4
MW:392.572008132935
MDL:MFCD00036859
CID:369791
PubChem ID:164672
Update Time:2025-05-26

Isodeoxycholic Acid Chemical and Physical Properties

Names and Identifiers

    • Cholan-24-oic acid,7,12-dihydroxy-, (5b,7a,12a)-
    • 5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL
    • 5-β-CHOLANIC ACID-7-α, 12-α-DIOL
    • 3-deoxycholic acid
    • 7ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOLANIC ACID
    • ISODEOXYCHOLIC ACID
    • Isodesoxycholsaeure
    • PHOENO-DEOXYCHOLIC ACID
    • 3TXX676B9T
    • 7a,12a-Dihydroxycholanoate
    • 7a,12a-Dihydroxy-5b-cholanic acid
    • 7a,12a-Dihydroxycholanoic acid
    • 7a,12a-Dihydroxy-5b-cholanoate
    • (R)-4-((5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
    • C17661
    • 7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid
    • 566-17-6
    • Cholan-24-oic acid, 7,12-dihydroxy-, (5beta,7alpha,12alpha)-
    • 7a,12a-dihydroxy-5b-Cholan-24-oic acid
    • NS00127195
    • (5beta,7alpha,12alpha)-7,12-dihydroxycholan-24-oic acid
    • 7a,12a-dihydroxy-5b-Cholan-24-oate
    • 5beta-cholanic acid-7alpha,12alpha-diol
    • Q27155197
    • SCHEMBL1654634
    • 7alpha,12alpha-Dihydroxycholanoic acid
    • 7alpha,12alpha-Dihydroxy-5beta-cholan-24-oate
    • 5beta-Cholan-24-oic acid, 7alpha,12alpha-dihydroxy-
    • HY-W399297
    • (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    • AKOS040755350
    • CHEBI:81256
    • 7a,12a-Dihydroxy-5b-cholanoic acid
    • LMST04010049
    • DTXSID701315756
    • CS-0510721
    • TS-08851
    • G76452
    • 7alpha,12alpha-Dihydroxy-5beta-cholanic Acid ; (5beta,7alpha,12alpha)-7,12-Dihydroxycholan-24-oic Acid ; 3-Deoxycholic Acid ; 7alpha,12alpha-Dihydroxy-5beta-cholanoic Acid ; 7alpha,12alpha-Dihydroxycholanoic Acid ; (R)-4-((5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic Acid
    • Isodeoxycholic Acid
    • MDL: MFCD00036859
    • Inchi: 1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/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: ZHCAAZIHTDCFJX-QLEQUTGBSA-N
    • SMILES: O[C@H]1C[C@@H]2[C@@]3(C)CCCC[C@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)O

Computed Properties

  • Exact Mass: 392.29300
  • Monoisotopic Mass: 392.29265975g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 605
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.76000
  • LogP: 4.47790

Isodeoxycholic Acid Pricemore >>

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Isodeoxycholic Acid Related Literature

Additional information on Isodeoxycholic Acid

Comprehensive Overview of Isodeoxycholic Acid (CAS No. 566-17-6): Properties, Applications, and Research Insights

Isodeoxycholic Acid (CAS No. 566-17-6), a bile acid derivative, has garnered significant attention in biomedical and pharmaceutical research due to its unique biochemical properties. As a stereoisomer of deoxycholic acid, it plays a pivotal role in lipid metabolism and has potential therapeutic applications. This article delves into its molecular structure, physiological functions, and emerging trends, addressing common queries like "Isodeoxycholic Acid benefits" and "566-17-6 solubility," which are frequently searched in academic and industry circles.

The chemical structure of Isodeoxycholic Acid features a hydroxyl group at the C-3 position and a hydrogen atom at C-12, distinguishing it from other bile acids. Its CAS No. 566-17-6 is a critical identifier for researchers sourcing high-purity standards. Recent studies highlight its role in modulating FXR (farnesoid X receptor) pathways, a hot topic in metabolic disorder research. Users often search for "Isodeoxycholic Acid vs. ursodeoxycholic acid," reflecting interest in comparative efficacy for liver health.

In pharmaceuticals, Isodeoxycholic Acid is explored for its cholesterol-lowering effects and potential in treating non-alcoholic fatty liver disease (NAFLD), a condition rising globally due to sedentary lifestyles. Its solubility in organic solvents (e.g., ethanol) and stability under physiological pH make it a candidate for drug formulation. Searches like "566-17-6 synthesis" indicate demand for scalable production methods, while "Isodeoxycholic Acid safety" underscores consumer interest in its toxicological profile.

Beyond therapeutics, Isodeoxycholic Acid is used in cosmetic formulations for its emulsifying properties, aligning with the clean beauty trend. Keywords such as "natural bile acids in skincare" and "566-17-6 supplier" reflect market demand. Analytical techniques like HPLC and NMR are essential for quality control, a point often queried as "Isodeoxycholic Acid purity analysis."

Environmental and regulatory aspects of CAS No. 566-17-6 are also debated. With increasing focus on green chemistry, researchers investigate biodegradable alternatives, though Isodeoxycholic Acid remains favored for its natural origin. FAQs like "Is Isodeoxycholic Acid FDA-approved?" highlight regulatory curiosity, while "566-17-6 price" trends are tracked by procurement specialists.

In conclusion, Isodeoxycholic Acid (CAS No. 566-17-6) bridges traditional biochemistry and modern medicine. Its multifaceted applications—from metabolic therapies to sustainable cosmetics—ensure its relevance. By addressing high-volume queries and integrating SEO-friendly terms like "buy Isodeoxycholic Acid" or "566-17-6 MSDS," this overview aims to serve both scientific and commercial audiences.

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