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2-(Palmitoyloxy)-1-[(palmitoyloxy)methyl]ethyl icosanoate
SpectraBase Compound ID IySpTJNUSn
InChI InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3
InChIKey IJSLZAWSVKSSIV-UHFFFAOYSA-N
Mol Weight 863.4 g/mol
Molecular Formula C55H106O6
Exact Mass 862.798941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4NTmARvMti
Name 2-(Palmitoyloxy)-1-[(palmitoyloxy)methyl]ethyl icosanoate
Alternate Name(s) 1,3-Di(hexadecanoyloxy)propan-2-yl icosanoate eicosanoic acid 1,3-bis(1-oxohexadecoxy)propan-2-yl ester [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] icosanoate
CAS Registry Number 56630-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H106O6
InChI InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h52H,4-51H2,1-3H3
InChIKey IJSLZAWSVKSSIV-UHFFFAOYSA-N
Molecular Weight 863.447 g/mol
SMILES C(OC(CCCCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
SPLASH splash10-0a4i-9211000000-c05b36192efc0da6f19b
Source of Spectrum Va-0-0-0
Wiley ID 742830