Glyceryl tridocosahexaenoate

Base Information

• Chemical Name: Glyceryl tridocosahexaenoate
• CAS No.: 124596-98-1
• Molecular Formula: C₆₉H₉₈O₆
• Molecular Weight: 1023.53
• UNII: 679339435D
• DSSTox Substance ID: DTXSID6042656
• Wikidata: Q27264102
• Metabolomics Workbench ID: 8966
• Mol file: 124596-98-1.mol

Synonyms:Tridocosahexaenoin;Glyceryl tridocosahexaenoate;11094-59-0;124596-98-1;Tridocosahexaenoylglycerol;1,2,3-tri-docosahexaenoyl-glycerol;UNII-679339435D;tridocosahexaenoin C22:6;4,7,10,13,16,19-Docosahexaenoic acid, 1,2,3-propanetriyl ester, (all-z)-;All-cis-4,7,10,13,16,19-docosahexaenoic acid (22:6)esterified to glycerol;Docosahexaenoic acid, 1,2,3-propanetriyl ester;2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;4,7,10,13,16,19-Docosahexaenoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (4Z,4'Z,4''Z,7Z,7'Z,7''Z,10Z,10'Z,10''Z,13Z,13'Z,13''Z,16Z,16'Z,16''Z,19Z,19'Z,19''z)-;4,7,10,13,16,19-Docosahexaenoic acid, 1,2,3-propanetriyl ester, (4Z,4'Z,4''Z,7Z,7'Z,7''Z,10Z,10'Z,10''Z,13Z,13'Z,13''Z,16Z,16'Z,16''Z,19Z,19'Z,19''z)-;679339435D;1,2,3-tri-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol;(4Z,4'Z,4''Z,7Z,7'Z,7''Z,10Z,10'Z,10''Z,13Z,13'Z,13''Z,16Z,16'Z,16''Z,19Z,19'Z,19''Z)-Propane-1,2,3-triyl tris(docosa-4,7,10,13,16,19-hexaenoate);TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z));LMGL03012611;TAG(22:6n3/22:6n3/22:6n3);starbld0028938;Glycerol Tridocosahexaenoyl;1,2,3-tricervonoylglycerol;DTXSID6042656;CHEBI:147311;Q27264102;1,2,3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol;propane-1,2,3-triyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z,4''Z,7''Z,10''Z,13''Z,16''Z,19''Z)tris-docosa-4,7,10,13,16,19-hexaenoate;TAG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Chemical Property of Glyceryl tridocosahexaenoate

Chemical Property:

• XLogP3: 19.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 50
• Exact Mass: 1022.73634084
• Heavy Atom Count: 75
• Complexity: 1850

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
• Isomeric SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

Technology Process of Glyceryl tridocosahexaenoate

There total 2 articles about Glyceryl tridocosahexaenoate 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:

tributyrin (60-01-5) + all-(Z)-ethyl 4,7,10,13,16,19-docosahexaenoate (81926-94-5,84494-72-4) → butanoic acid ethyl ester (105-54-4) + triglyceride of docosahexaenoic acid (124596-98-1)

Guidance literature:

at 65 ℃; for 72h; under 0.01 - 0.1 Torr; 10percent dosage immobilized nonregiospecific yeast lipase from Candida antarctica;

DOI:10.1016/S0040-4039(00)73862-7

Reference yield:

docosahexaenoic acid (6217-54-5) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → butanoic acid ethyl ester (105-54-4) + triglyceride of docosahexaenoic acid (124596-98-1)

Guidance literature:

at 65 ℃; for 72h; under 0.01 - 0.1 Torr; 10percent dosage immobilized nonregiospecific yeast lipase from Candida antarctica;

DOI:10.1016/S0040-4039(00)73862-7

upstream raw materials:

tributyrin

all-(Z)-ethyl 4,7,10,13,16,19-docosahexaenoate

docosahexaenoic acid

glycerol

Refernces