Glyceryl tri(octanoate-d15)

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  • 352431-24-4
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  • 98 atom % D
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Catalog Number
ACM352431244
Product Name
Glyceryl tri(octanoate-d15)
Structure
Structure
CAS
352431-24-4
Category
Heterocyclic Organic Compound
Synonyms
GLYCERYL TRI(OCTANOATE-D15);Trioctanoin-d45 (tri-octyl-d45)
IUPAC Name
2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoyloxy)propyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoate
Molecular Weight
515.96
Molecular Formula
C27H5D45O6
Canonical SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2
InChI Key
VLPFTAMPNXLGLX-PMCKLPPWSA-N
Exact Mass
515.64300
H-Bond Acceptor
6
H-Bond Donor
0
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(=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])[2H])OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Stability
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions
Store at room temperature
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