Codisterol

Base Information

• Chemical Name: Codisterol
• CAS No.: 52936-69-3
• Molecular Formula: C28H46O
• Molecular Weight: 398.66
• DSSTox Substance ID: DTXSID501318542
• Metabolomics Workbench ID: 34834
• Nikkaji Number: J10.003J
• Wikidata: Q104375749
• Mol file: 52936-69-3.mol

Synonyms:Codisterol;Ergosta-5,25-dien-3beta-ol;52936-69-3;DTXSID501318542;LMST01031028

Chemical Property of Codisterol

Chemical Property:

• Melting Point: 144 - 145 °C
• Boiling Point: 490.3±14.0 °C(Predicted)
• PKA: 15.03±0.70(Predicted)
• PSA: 20.23000
• Density: 0.98±0.1 g/cm3(Predicted)
• LogP: 7.55480
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 398.354866087
• Heavy Atom Count: 29
• Complexity: 661

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Codisterol

There total 4 articles about Codisterol 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: 52.0%

24-methylene cholesterol (474-63-5) → Δ5,24(28)-ergostadien-3β-ol (20780-41-0) + ergosta-5,23(Z)-dien-3β-ol (82949-88-0,72962-53-9) + 24-methylcholesta-5,E-23-dien-3β-ol (79733-00-9,72962-53-9) + codisterol (52936-69-3) + 24β-methyl-25-dehydrocholesterol (71486-08-3)

Guidance literature:

With lithium 2-aminoethylamide; In ethylenediamine; at 115 ℃; for 0.5h; Product distribution; var. time;

DOI:10.1021/jo00143a025

Reference yield: 38.0%

24-methylene cholesterol (474-63-5) → Δ5,24(28)-ergostadien-3β-ol (20780-41-0) + ergosta-5,23(Z)-dien-3β-ol (82949-88-0,72962-53-9) + 24-methylcholesta-5,E-23-dien-3β-ol (79733-00-9,72962-53-9) + codisterol (52936-69-3)

Guidance literature:

With lithium 2-aminoethylamide; In ethylenediamine; at 115 ℃; for 0.5h; Further byproducts given;

DOI:10.1021/jo00143a025

Reference yield: 31.0%

(24S)-6β-methoxy-3α,5-cyclo-5α-ergost-25-ene → codisterol (52936-69-3)

Guidance literature:

With toluene-4-sulfonic acid; In 1,4-dioxane; water; for 0.75h; Heating;

DOI:10.1016/0031-9422(95)00766-0

upstream raw materials:

24-methylene cholesterol

Downstream raw materials:

(24S)-24-methylcholest-5-ene-3β,25-diol