7-Oxoglycochenodeoxycholic acid

Base Information

• Chemical Name: 7-Oxoglycochenodeoxycholic acid
• CAS No.: 75808-00-3
• Molecular Formula: C₂₆H₄₁NO₅
• Molecular Weight: 447.615
• DSSTox Substance ID: DTXSID00997204
• Nikkaji Number: J749.959K
• Wikidata: Q76280252
• Mol file: 75808-00-3.mol

Synonyms:7-oxo-GCGCA;7-oxoglycochenodeoxycholic acid

Chemical Property of 7-Oxoglycochenodeoxycholic acid

Chemical Property:

• Vapor Pressure: 6.09E-20mmHg at 25°C
• Boiling Point: 655.1°C at 760 mmHg
• Flash Point: 350°C
• PSA: 107.19000
• Density: 1.158g/cm³
• LogP: 4.64260
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 447.29847341
• Heavy Atom Count: 32
• Complexity: 767

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C
• Isomeric SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Technology Process of 7-Oxoglycochenodeoxycholic acid

There total 1 articles about 7-Oxoglycochenodeoxycholic 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-Hydroxy-7-keto-5β-cholanylglycin (75808-00-3)

Guidance literature:

entspr.Cholansaeure 3, Glycinethylesterhydrochlorid, N-Ethoxycarbonyl-2-ethoxy-1.2-dihydrochinolin;

DOI:10.1002/jlcr.2580160308

Refernces