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Tristearin-[d105]

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General Information
Catalog: BLP-011517
CAS: 125941-88-0
Molecular Formula: C57H5D105O6
Molecular Weight: 997.13

Chemical Structure

Description	Tristearin-[d105] is the labelled analogue of Tristearin, which is found in animal and vegetable fats.
Synonyms	Tristearin (Tristearoyl-D105); Glyceryl Tri(octadecanoate-d35); Octadecanoic Acid 1,1',1''-(1,2,3-Propanetriyl) Ester-d105; Glycerin tristearate-d105; Glycerol trioctadecanoate-d105; Glyceryl trioctadecanoate-d105; Stearic acid triglyceride-d105; Stearic acid triglycerin ester-d105; Stearoyl triglyceride-d105; Trioctadecanoin-d105; Tristearoylglycerol-d105; Tristearin-d105
IUPAC Name	2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoyloxy)propyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoate
Related CAS	555-43-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC(COC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C57H110O6/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/h54H,4-53H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2,30D2,31D2,32D2,33D2,34D2,35D2,36D2,37D2,38D2,39D2,40D2,41D2,42D2,43D2,44D2,45D2,46D2,47D2,48D2,49D2,50D2,51D2
InChI Key	DCXXMTOCNZCJGO-PAKTVWTGSA-N
Purity	98%; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly, Heated)
Appearance	Off-white Solid
Storage	Store at 2-8°C