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1,1,2,3,3-Pentadeuterioglyceryl trioctadecanoate
SpectraBase Compound ID BPlyvjE3Pnn
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/i52D2,53D2,54D
InChIKey DCXXMTOCNZCJGO-KIQVGQEISA-N
Mol Weight 896.5 g/mol
Molecular Formula C57H1052D5O6
Exact Mass 895.861625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9Z4hMoM3eJ
Name 1,1,2,3,3-Pentadeuterioglyceryl trioctadecanoate
CAS Registry Number 55256-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H105D5O6
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/i52D2,53D2,54D
InChIKey DCXXMTOCNZCJGO-KIQVGQEISA-N
Molecular Weight 896.532 g/mol
SMILES C(OC(C(OC(=O)CCCCCCCCCCCCCCCCC)([2D])[2D])(C(OC(=O)CCCCCCCCCCCCCCCCC)([2D])[2D])[2D])(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0r00-9000101000-6474d1a88d452c169365
Source of Spectrum Va-0-0-0
Synonyms Octadecanoic acid [1,1,2,3,3-pentadeuterio-2,3-bis(1-oxooctadecoxy)propyl] ester [1,1,2,3,3-pentadeuterio-2,3-di(octadecanoyloxy)propyl] octadecanoate
Wiley ID 742835