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Octadecanoic acid, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxotetradecyl)oxy]propyl ester
SpectraBase Compound ID AAQZrVdWtDO
InChI InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey HVGKTEKOBPKGTR-UHFFFAOYSA-N
Mol Weight 807.3 g/mol
Molecular Formula C51H98O6
Exact Mass 806.736341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BTiYg9dH30
Name Octadecanoic acid, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxotetradecyl)oxy]propyl ester
CAS Registry Number 56554-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H98O6
InChI InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey HVGKTEKOBPKGTR-UHFFFAOYSA-N
Molecular Weight 807.339 g/mol
SMILES C(OC(CCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
SPLASH splash10-0a4o-9010000000-2d7cfdc6ac78c533b663
Source of Spectrum Va-0-0-0
Synonyms 3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl stearate stearic acid (3-hexadecanoyloxy-2-tetradecanoyloxy-propyl) ester Octadecanoic acid [3-(1-oxohexadecoxy)-2-(1-oxotetradecoxy)propyl] ester (3-hexadecanoyloxy-2-tetradecanoyloxypropyl) octadecanoate
Wiley ID 742725