5alpha-Cholan-24-oic Acid

Base Information

• Chemical Name: 5alpha-Cholan-24-oic Acid
• CAS No.: 468-98-4
• Molecular Formula: C24H40O2
• Molecular Weight: 360.58
• UNII: 0NP5R208EW
• Nikkaji Number: J11.332H
• Wikidata: Q27116760
• Metabolomics Workbench ID: 36244
• Mol file: 468-98-4.mol

Synonyms:5alpha-Cholan-24-oic Acid;allocholanic acid;5alpha-cholanic acid;Allocholanoic acid;468-98-4;Cholanic acid, 5alpha-;Cholanic acid, (5alpha)-;UNII-0NP5R208EW;0NP5R208EW;5alpha-Cholanoic acid;Cholan-24-oic acid, (5alpha)-;(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-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;5-alpha-Cholanic acid;5a-cholanoic acid;(5alpha)-cholanic acid;SCHEMBL4355368;5.ALPHA.-CHOLANIC ACID;CHEBI:36239;CHOLANIC ACID, 5.ALPHA.-;LMST04010002;CHOLANIC ACID, (5.ALPHA.)-;5.ALPHA.-CHOLAN-24-OIC ACID;CHOLAN-24-OIC ACID, (5.ALPHA.)-;Q27116760

Chemical Property of 5alpha-Cholan-24-oic Acid

Chemical Property:

• PSA: 37.30000
• LogP: 6.53630
• XLogP3: 8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 360.302830514
• Heavy Atom Count: 26
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

5β-Cholanic acid ≥99% (TLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C

Technology Process of 5alpha-Cholan-24-oic Acid

There total 13 articles about 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:

Hyodeoxycholic Acid (83-49-8) → 5α-cholan-24-oic acid (468-98-4) + cholanic acid (25312-65-6)

Guidance literature:

at 320 - 340 ℃; under 15 Torr; Hydrieren des Reaktionsprodukts in Essigsaeure an Palladium;

Reference yield:

cholen-(5)-oic acid-(24) (130078-10-3) → 5α-cholan-24-oic acid (468-98-4) + cholanic acid (25312-65-6)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

Reference yield:

choladien-(4.6)-oic acid-(24) → 5α-cholan-24-oic acid (468-98-4) + cholanic acid (25312-65-6)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

upstream raw materials:

cholestane

cholen-⁽⁵⁾-oic acid-⁽²⁴⁾

Hyodeoxycholic Acid

acetic acid

Downstream raw materials:

5α-cholanoic acid-(24)-ethyl ester