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Glycerol Trioleate-[13C36]

General Information
Catalog: BLP-000625
Molecular Formula: C21[13C]36H104O6
Molecular Weight: 921.17
Chemical Structure
Glycerol Trioleate-[13C36]
Description Glycerol Trioleate-[13C36] 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 1,2-di(oleate-13C18) 3-oleate
IUPAC Name [2-[(Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)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-/i1+1,3+1,4+1,6+1,7+1,9+1,10+1,12+1,13+1,15+1,16+1,18+1,19+1,21+1,22+1,24+1,25+1,27+1,28+1,30+1,31+1,33+1,34+1,36+1,37+1,39+1,40+1,42+1,43+1,45+1,46+1,48+1,49+1,51+1,55+1,57+1
InChI Key PHYFQTYBJUILEZ-FAHXWPFJSA-N
Purity ≥ 97% (CP); ≥ 99% atom 13C

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