3beta,6beta-Dihydroxy-5alpha-cholan-24-oic Acid

Base Information

• Chemical Name: 3beta,6beta-Dihydroxy-5alpha-cholan-24-oic Acid
• CAS No.: 2448-47-7
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.579
• NSC Number: 18160
• DSSTox Substance ID: DTXSID501243565
• Wikidata: Q63392618
• Metabolomics Workbench ID: 36273
• Mol file: 2448-47-7.mol

Synonyms:3beta,6beta-Dihydroxy-5alpha-cholan-24-oic Acid;2448-47-7;3b,6b-(OH)2-5a-cholanic acid;DTXSID501243565;NSC18160;LMST04010031;NSC-18160;Q63392618;Cholan-24-oic acid, 3,6-dihydroxy-, (3beta,5alpha,6beta)-

Chemical Property of 3beta,6beta-Dihydroxy-5alpha-cholan-24-oic Acid

Chemical Property:

• Vapor Pressure: 2.98E-14mmHg at 25°C
• Boiling Point: 547.1°Cat760mmHg
• Flash Point: 298.8°C
• Density: 1.128g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 392.29265975
• Heavy Atom Count: 28
• Complexity: 605

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C

Technology Process of 3beta,6beta-Dihydroxy-5alpha-cholan-24-oic Acid

There total 19 articles about 3beta,6beta-Dihydroxy-5alpha-cholan-24-oic 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:

5α-cholestan-3β,6β-diol diacetate (3514-29-2) + acetic acid (64-19-7,77671-22-8) → 3β,6β-dihydroxy-5α-androstanone-(17) (14357-17-6,152886-16-3) + 3β,6β-dihydroxy-5α-cholanoic acid (2448-47-7)

Guidance literature:

at 90 ℃; Hydrolyse des Reaktionsprodukts;

DOI:10.1007/BF03343970

Reference yield:

5α-cholanic acid-3,6-dione (6929-22-2) → 3β,6β-dihydroxy-5α-cholanoic acid (2448-47-7)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01254a006

Reference yield:

5α-cholestan-3β,6β-diol diacetate (3514-29-2) → 3β,6β-dihydroxy-5α-cholanoic acid (2448-47-7)

Guidance literature:

With chromium(VI) oxide; acetic acid; Erwaermen der sauren Anteile des Reaktionsprodukts mit methanol. Kalilauge;

DOI:10.1021/ja01860a060

upstream raw materials:

5α-cholanic acid-3,6-dione

3,6-dioxocholanoic acid

5α-cholestan-3β,6β-diol diacetate

aluminum isopropoxide

Downstream raw materials:

5α-cholanic acid-3,6-dione