Cholesteryl linolenate

Base Information

• Chemical Name: Cholesteryl linolenate
• CAS No.: 2545-22-4
• Molecular Formula: C45H74O2
• Molecular Weight: 647.081
• European Community (EC) Number: 219-824-9
• DSSTox Substance ID: DTXSID001014612
• Nikkaji Number: J192.036G
• Wikidata: Q27157690
• Metabolomics Workbench ID: 34675
• Mol file: 2545-22-4.mol

Synonyms:cholesteryl linolenate;CLL-9,12,15

Chemical Property of Cholesteryl linolenate

Chemical Property:

• Appearance/Colour: White solid.
• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 678.9°Cat760mmHg
• Flash Point: 365°C
• PSA: 26.30000
• Density: 0.97g/cm³
• LogP: 13.52910
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 15.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 646.56888160
• Heavy Atom Count: 47
• Complexity: 1060

Purity/Quality:

98%min ^*data from raw suppliers

CholesterylLinolenate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
• Description: Cholesterol α-linolenate is a cholesterol ester found in fatty streaks and atherosclerotic plaques isolated from human aorta.
• Uses: Cholesteryl Linolenate1

Technology Process of Cholesteryl linolenate

There total 4 articles about Cholesteryl linolenate 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:

cis,cis,cis-9,12,15-octadecatrienoyl chloride (59044-29-0) + cholesterol (57-88-5) → cholesterol all cis-9,12,15-octadecatrienoate (2545-22-4)

Guidance literature:

In benzene; at 20 ℃;

DOI:10.1007/s11745-015-4019-7

Reference yield:

cholesterol (57-88-5) → cholesterol all cis-9,12,15-octadecatrienoate (2545-22-4)

Guidance literature:

With pyridine; at 80 ℃;

DOI:10.1021/ac60141a008

Reference yield:

→ cholesterol all cis-9,12,15-octadecatrienoate (2545-22-4)

Guidance literature:

Cholesterylacetat, NaOEt/Methyllinolenat;

upstream raw materials:

cholesterol

cis,cis,cis-9,12,15-octadecatrienoyl chloride

cholesterol

Refernces