5alpha-Hydroperoxy-cholest-6-ene-3beta-ol

Base Information

• Chemical Name: 5alpha-Hydroperoxy-cholest-6-ene-3beta-ol
• CAS No.: 3328-25-4
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• Metabolomics Workbench ID: 34561
• Nikkaji Number: J33.972E
• Mol file: 3328-25-4.mol

Synonyms:Cholesterol-5alpha-hydroperoxide;5alpha-hydroperoxy-cholest-6-ene-3beta-ol;3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide;LMST01010278;5alpha-hydroperoxycholest-6-en-3beta-ol

Chemical Property of 5alpha-Hydroperoxy-cholest-6-ene-3beta-ol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.4700 (estimate)
• Boiling Point: 518.984°C at 760 mmHg
• Flash Point: 267.672°C
• PSA: 49.69000
• Density: 1.059g/cm³
• LogP: 6.85680
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 418.34469533
• Heavy Atom Count: 30
• Complexity: 644

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4(C3(CCC(C4)O)C)OO)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C[C@@]4([C@@]3(CC[C@@H](C4)O)C)OO)C

Technology Process of 5alpha-Hydroperoxy-cholest-6-ene-3beta-ol

There total 10 articles about 5alpha-Hydroperoxy-cholest-6-ene-3beta-ol 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: 97.0%

cholesterin (34026-89-6) → hydroperoxy-5α ol-3β cholestene 6-7 (3328-25-4,55529-60-7)

Guidance literature:

With 9,10-Dicyanoanthracene; oxygen; In dichloromethane; for 1.66667h; Irradiation;

DOI:10.1016/S0040-4020(01)88160-6

Reference yield: 70.0%

cholesterol (57-88-5) → cholesterol 5α-hydroperoxide (55529-60-7,3328-25-4)

Guidance literature:

With oxygen; rose bengal; In pyridine; at 17 ℃; under 760 Torr; Irradiation;

DOI:10.1039/P29890000815

Reference yield:

cholesterol (57-88-5) → cholesterol 5α-hydroperoxide (55529-60-7,3328-25-4) + 3β-hydroxycholest-5-ene-7-hydroperoxide (86900-29-0)

Guidance literature:

With C₄₅H₂₅N₅Pd; oxygen; In benzene; Irradiation, λ>510 nm;

DOI:10.1002/ejoc.200900856

upstream raw materials:

cholesterol

cholesterol

pyridine

hematoporphyrin

Downstream raw materials:

7-hydroxycholesterol

7-Oxocholesterol

C₃₁H₅₆O₄

C₃₁H₅₆O₄