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CAS 285979-78-4

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Hexadecanoic-16,16,16-d3acid, 1,2,3-propanetriyl ester (9CI)

Description:
Hexadecanoic-16,16,16-d3 acid, 1,2,3-propanetriyl ester (9CI), also known as tristearin-d3, is a triglyceride derived from hexadecanoic acid (palmitic acid) where the hydrogen atoms at the 16th carbon position are replaced with deuterium isotopes. This compound is characterized by its long-chain fatty acid structure, which contributes to its hydrophobic properties and makes it a solid at room temperature. As a triglyceride, it consists of three fatty acid molecules esterified to a glycerol backbone, which influences its physical properties, such as melting point and solubility. The presence of deuterium allows for applications in isotopic labeling and tracing in biochemical studies. Tristearin-d3 is typically used in research settings, particularly in studies involving lipid metabolism and the behavior of fatty acids in biological systems. Its stability and inertness under physiological conditions make it a valuable tool in various analytical techniques, including mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy.
Formula:C51H89D9O6
InChI:InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/i1D3,2D3,3D3
InChI key:PVNIQBQSYATKKL-GQALSZNTSA-N
SMILES:[2H]C([2H])([2H])CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC([2H])([2H])[2H])OC(=O)CCCCCCCCCCCCCCC([2H])([2H])[2H]
Synonyms:
  • Glyceryl Tri(Hexadecanoate-16,16,16-D3)
  • Glyceryl Tripalmitin-16,16,16-D3)
  • Glyceryl Trihexadecanoate-d3
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