5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol

Base Information

• Chemical Name: 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol
• CAS No.: 862-53-3
• Molecular Formula: C₂₇H₄₈O₄
• Molecular Weight: 436.676
• DSSTox Substance ID: DTXSID60862444
• Nikkaji Number: J1.513.287F
• Wikidata: Q27102298
• Metabolomics Workbench ID: 36696
• Mol file: 862-53-3.mol

Synonyms:5 beta-cholestane-3alpha,7alpha,12alpha,26-tetrol;5-CTTL;5beta-cholestane 3alpha,7alpha,12alpha,27-tetrol;cholestane-3,7,12,26(27)-tetrol;cholestane-3,7,12,26-tetrol;cholestane-3,7,12,26-tetrol, (3alpha,5alpha,7alpha,12alpha)-isomer;cholestane-3,7,12,27-tetrol

Chemical Property of 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol

Chemical Property:

• Vapor Pressure: 1.71E-15mmHg at 25°C
• Boiling Point: 572.6°C at 760 mmHg
• Flash Point: 240.4°C
• PSA: 80.92000
• Density: 1.098g/cm³
• LogP: 4.38260
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 436.35526001
• Heavy Atom Count: 31
• Complexity: 624

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)CO
• Isomeric SMILES: C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Technology Process of 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol

There total 7 articles about 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol 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-3α,7α,12α,26-tetrol (862-52-2,862-53-3,27857-14-3,134002-65-6)

Guidance literature:

Entspr. 5α-Sterol, Kaninchenleber;

Reference yield:

→ 5α-Cholestan-3α,7α,12α,26-tetrol (862-52-2,862-53-3,27857-14-3,134002-65-6)

Guidance literature:

3α,7α,12α-Trihydroxycaprostansaeure, LiAlH4, Reduktion;

Reference yield:

→ 3α,7α,12α,27-Tetrahydroxy-coprostan (862-52-2,862-53-3,27857-14-3,134002-65-6)

Guidance literature:

Natriummalonsaeurediethylester, 1. Triformylcholoylchlorid, Toluol, Erwaermen, 2. LiAlH4, DMF, 3. LiAlH4, THF, 4. wss. NaOH, Erwaermen, neben 3α,7α,12α,24-Tetrahydroxy-cholan u. a. Verbb.;

DOI:10.1042/bj0820285

Downstream raw materials:

(25S)-3,7,12-trioxo-5α-cholestanoic acid-(26)-methyl ester