omega-Muricholic acid

Base Information

• Chemical Name: omega-Muricholic acid
• CAS No.: 6830-03-1
• Molecular Formula: C₂₄H₄₀O₅
• Molecular Weight: 408.579
• DSSTox Substance ID: DTXSID10415287
• Nikkaji Number: J472.758D
• Wikidata: Q27155233
• Metabolomics Workbench ID: 36307
• Mol file: 6830-03-1.mol

Synonyms:3 alpha,6 alpha,7 beta-trihydroxy-5 beta-cholanoic acid;3,6,7-trihydroxy-5-cholanoic acid;alpha-muricholic acid;beta-muricholic acid;hyocholic acid;muricholic acid;muricholic acid, (3alpha,5alpha,6alpha,7alpha)-isomer;muricholic acid, (3alpha,5beta,6alpha,7alpha)-isomer;muricholic acid, (3alpha,5beta,6alpha,7beta)-isomer;muricholic acid, (3alpha,5beta,6beta,7alpha)-isomer;muricholic acid, (3alpha,5beta,6beta,7beta)-isomer;muricholic acid, sodium salt;omega-muricholic acid;trihydroxy-5 alpha-cholanoic acid

Chemical Property of omega-Muricholic acid

Chemical Property:

• Melting Point: 162-164 °C
• Boiling Point: 565.7±40.0 °C(Predicted)
• PKA: 4.76±0.10(Predicted)
• PSA: 0.00000
• Density: 1.184±0.06 g/cm3(Predicted)
• LogP: 0.00000
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 408.28757437
• Heavy Atom Count: 29
• Complexity: 637

Purity/Quality:

95% ^*data from raw suppliers

ω-MuricholicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
• Uses: ω-Muricholic Acid is used in the regulation of weight gain and lipid metabolism by bacterial bile acid modification in gut for the control of obesity and hypercholesterolemia.

Technology Process of omega-Muricholic acid

There total 5 articles about omega-Muricholic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3α,6β,7α-Trihydroxy-5α-cholanic acid (547-75-1,2393-58-0,2393-59-1,6830-03-1,29311-00-0,34186-25-9,39016-49-4,77171-71-2,87638-62-8,102208-39-9,106927-35-9,111320-73-1,116781-73-8,125225-00-5,125225-01-6,135503-50-3)

Guidance literature:

3α-Acetoxy-6β,7α-dihydroxy-5α-cholansaeure-methylester, sd. methanol. KOH;

DOI:10.1016/0039-128X(71)90042-0

Reference yield:

→ 3α,6α,7α-Trihydroxy-5α-cholanic acid (547-75-1,2393-58-0,2393-59-1,6830-03-1,29311-00-0,34186-25-9,39016-49-4,77171-71-2,87638-62-8,102208-39-9,106927-35-9,111320-73-1,116781-73-8,125225-00-5,125225-01-6,135503-50-3)

Guidance literature:

3α-Acetoxy-6α,7α-dihydroxy-5α-cholansaeure-methylester, sd. methanol. KOH;

DOI:10.1016/0039-128X(71)90042-0

Reference yield:

→ Allo-ω-muricholansaeure (547-75-1,2393-58-0,2393-59-1,6830-03-1,29311-00-0,34186-25-9,39016-49-4,77171-71-2,87638-62-8,102208-39-9,106927-35-9,111320-73-1,116781-73-8,125225-00-5,125225-01-6,135503-50-3)

Guidance literature:

3α,7β-Dihydroxy-6-oxo-5α-cholanic acid, Na, Propanol-1, (Siedetemp.);

DOI:10.1016/0039-128X(71)90042-0