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3-(Stearoyloxy)-2-(tetradecanoyloxy)propyl stearate

View entire compound with spectra: 2 MS (GC)

3-(Stearoyloxy)-2-(tetradecanoyloxy)propyl stearate
SpectraBase Compound ID JzBuzosvk74
InChI InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
InChIKey MARPCPMDFOPPJX-UHFFFAOYSA-N
Mol Weight 835.4 g/mol
Molecular Formula C53H102O6
Exact Mass 834.767641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3U3EiS92I18
Name 3-(Stearoyloxy)-2-(tetradecanoyloxy)propyl stearate
Alternate Name(s) stearic acid (3-stearoyloxy-2-tetradecanoyloxy-propyl) ester Octadecanoic acid [3-(1-oxooctadecoxy)-2-(1-oxotetradecoxy)propyl] ester (3-octadecanoyloxy-2-tetradecanoyloxypropyl) octadecanoate
CAS Registry Number 57396-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H102O6
InChI InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3
InChIKey MARPCPMDFOPPJX-UHFFFAOYSA-N
Molecular Weight 835.393 g/mol
SMILES C(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O
SPLASH splash10-0abc-9100010000-d68872615f149947cd07
Source of Spectrum EP-8563-0-0
Wiley ID 1417579