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9-Octadecenoic acid (Z)-, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl ester
SpectraBase Compound ID DeLXWXRuGlX
InChI InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25+
InChIKey NPCZZYKITFKRQZ-IMVLJIQESA-N
Mol Weight 861.4 g/mol
Molecular Formula C55H104O6
Exact Mass 860.783291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SuFF5dGuu
Name 9-Octadecenoic acid (Z)-, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl ester
CAS Registry Number 2190-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H104O6
InChI InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25+
InChIKey NPCZZYKITFKRQZ-IMVLJIQESA-N
Molecular Weight 861.431 g/mol
SMILES CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC
SPLASH splash10-0a6u-9322131000-9c05cd0ef0eca11b90e7
Source of Spectrum EP-8564-0-0
Synonyms 3-(Palmitoyloxy)-2-(stearoyloxy)propyl (9Z)-9-octadecenoate 1-Palmito-2-stearoolein 2-Oleo-palmitostearin Olein, 3-palmito-2-stearo-1- Octadecanoic acid [1-(1-oxohexadecoxy)-3-[(E)-1-oxooctadec-9-enoxy]propan-2-yl] ester [1-hexadecanoyloxy-3-[(E)-octadec-9-enoyl]oxypropan-2-yl] octadecanoate [1-(hexadecanoyloxymethyl)-2-[(E)-octadec-9-enoyl]oxy-ethyl] octadecanoate [1-hexadecanoyloxy-3-[(E)-octadec-9-enoyl]oxy-propan-2-yl] octadecanoate
Wiley ID 1417765