Analyte Name

(9Z,12Z)-9,12-Octadecadienoic Acid 1-(((1-Oxohexadecyl)oxy)methyl)-2-(((9Z)-1-oxo-9-octadecenyl)oxy)ethyl Ester-D5

CAS Number

2714421-59-5

Molecular Formula

C55 D5 H95 O6

Molecular Weight

862.41

Accurate Mass

861.783

SMILES

[2H]C([2H])(OC(=O)CCCCCCCCCCCCCCC)C([2H])(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C([2H])([2H])OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,52H,4-16,18-19,21-24,29-51H2,1-3H3/b20-17-,27-25-,28-26-/i50D2,51D2,52D

IUPAC

[1,1,2,3,3-pentadeuterio-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate

Unlabelled CAS Number

2579-00-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat