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Triolein-[1,1,1-13C3]

General Information
Catalog: BLP-009414
CAS: 82005-46-7
Molecular Formula: C54[13C]3H104O6
Molecular Weight: 888.41
Chemical Structure
Triolein-[1,1,1-13C3]
Description Triolein-[1,1,1-13C3] is the labelled analogue of Glycerol Trioleate. Glycerol Trioleate belongs to the class of organic compounds known as triacylglycerols. Glycerine Trioleate is one of the two components of Lorenzo's oil which is used in the investigational treatment of asymptomatic patients with adrenoleukodystrophy (ALD). It has a role as a plant metabolite and a Caenorhabditis elegans metabolite.
Synonyms Glyceryl tri(oleate-1-13C); Triolein-carboxyls-13C3
IUPAC Name 2,3-bis[[(Z)-(1-13C)octadec-9-enoyl]oxy]propyl (Z)-(1-13C)octadec-9-enoate
Related CAS 122-32-7 (unlabelled)
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
InChI InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/i55+1,56+1,57+1
InChI Key PHYFQTYBJUILEZ-UBEHWWNBSA-N
Boiling Point 235-240°C at 18 mmHg
Purity 98% by CP; 99% atom 13C
Density 0.913 g/cm3
Storage Store at -20°C,

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