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rac-1-Linoleoyl-2-stearoyl-3-chloropropanediol-[d5]

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General Information
Catalog: BLP-004061
CAS: 1246833-48-6
Molecular Formula: C39H66D5ClO4
Molecular Weight: 644.46

Chemical Structure

Description	Labelled rac-1-Linoleoyl-2-stearoyl-3-chloropropanediol, found in the hydrolysates of food proteins.
Synonyms	3-chloro-2-(octadecanoyloxy)(D5)propyl (9E,12E)-octadeca-9,12-dienoate; 9,12-Octadecadienoic Acid 3-Chloro-2-[(1-oxooctadecyl)oxy]propyl Ester
IUPAC Name	[1-chloro-1,1,2,3,3-pentadeuterio-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] octadecanoate
Related CAS	1246833-46-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)CCl
InChI	InChI=1S/C39H71ClO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37H,3-10,12,14-16,18,20-36H2,1-2H3/b13-11-,19-17-/i35D2,36D2,37D
InChI Key	FSIDKIWIEOGHHZ-OESFQQCJSA-N
Purity	>98%
Solubility	Soluble in Chloroform
Appearance	Pale Yellow Oil
Storage	Store at-20°C