Cholan-24-oic acid, 3-oxo-, methyl ester, (5beta)-

Base Information

• Chemical Name: Cholan-24-oic acid, 3-oxo-, methyl ester, (5beta)-
• CAS No.: 70982-52-4
• Molecular Formula: C₂₅H₄₀O₃
• Molecular Weight: 388.591
• DSSTox Substance ID: DTXSID70449422
• Nikkaji Number: J130.599I
• Wikidata: Q82268879
• Mol file: 70982-52-4.mol

Synonyms:BIDD:PXR0105;1173-32-6;70982-52-4;Cholan-24-oic acid, 3-oxo-, methyl ester, (5beta)-;Cholan-24-oic acid, 3-oxo-, methyl ester, (5.beta.)-;methyl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;SCHEMBL3674687;DTXSID70449422;SRLWMUQGWKOYLX-NAMNPDSASA-N;methyl 3-oxo-5beta-cholan-24-oate;Methyl 5-beta-cholan-3-one-24-oate;Methyl 5-.beta.-cholan-3-one-24-oate;3-Oxo-5beta-cholan-24-oic acid methyl ester;Methyl 3-oxocholan-24-oate-, (5.beta.)- #

Chemical Property of Cholan-24-oic acid, 3-oxo-, methyl ester, (5beta)-

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 388.29774513
• Heavy Atom Count: 28
• Complexity: 627

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
• Isomeric SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

Technology Process of Cholan-24-oic acid, 3-oxo-, methyl ester, (5beta)-

There total 3 articles about Cholan-24-oic acid, 3-oxo-, methyl ester, (5beta)- 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:

→ 3-Keto-cholansaeure-methylester (1173-32-6,15074-03-0,70982-52-4)

Guidance literature:

entspr. Δ¹-Verb., Hydrierung ueber Pd/C in A.-Lsg.;

DOI:10.1021/jo01062a047

Reference yield:

→ 3-Oxo-5β-cholansaeure-methylester (1173-32-6,15074-03-0,70982-52-4)

Guidance literature:

Alkohol A, Jones-Reagenz;

DOI:10.1248/cpb.25.1073

Reference yield:

→ Methyl-3-keto-5α-cholanat (1173-32-6,15074-03-0,70982-52-4)

Guidance literature:

Methyl-chenodesoxycholat, 1) Raney-Ni, (p-Cymol), 2) Chromatographie;