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Glycerol Trioleate-[13C36]

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General Information
Catalog: BLP-000625
Molecular Formula: C21[13C]36H104O6
Molecular Weight: 921.17

Chemical Structure

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