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Eicosapentaenoic acid, 1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-[(1-oxohexadecyl) oxy]ethyl ester, (R)-
SpectraBase Compound ID 3Pw8RxkAXL0
InChI InChI=1S/C45H80O5Si/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-44(47)50-42(41-49-51(6,7)45(3,4)5)40-48-43(46)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2/h23-25,27,29,31,33,35,37,39,42H,8-22,26,28,30,32,34,36,38,40-41H2,1-7H3/b24-23+,27-25+,31-29+,35-33+,39-37-/t42-/m1/s1
InChIKey XWFHKRSKIDLAAN-QNTKDAJBSA-N
Mol Weight 729.2 g/mol
Molecular Formula C45H80O5Si
Exact Mass 728.577502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uory8xGDo
Name Eicosapentaenoic acid, 1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-[(1-oxohexadecyl) oxy]ethyl ester, (R)-
Alternate Name(s) (1R)-2-{[tert-butyl(dimethyl)silyl]oxy}-1-[(palmitoyloxy)methyl]ethyl (2Z,4E,6E,8E,10E)-2,4,6,8,10-icosapentaenoate 1-Palmitoyl-2-eicosapentaenoyl-sn-glycerol, tert-butyl-dimethylsilyl derivative
CAS Registry Number 65572-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H80O5Si
InChI InChI=1S/C45H80O5Si/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-44(47)50-42(41-49-51(6,7)45(3,4)5)40-48-43(46)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2/h23-25,27,29,31,33,35,37,39,42H,8-22,26,28,30,32,34,36,38,40-41H2,1-7H3/b24-23+,27-25+,31-29+,35-33+,39-37-/t42-/m1/s1
InChIKey XWFHKRSKIDLAAN-QNTKDAJBSA-N
Molecular Weight 729.215 g/mol
SMILES C([Si](OC[C@](OC(\C=C/C=C/C=C/C=C/C=C/CCCCCCCCC)=O)(COC(=O)CCCCCCCCCCCCCCC)[H])(C)C)(C)(C)C
SPLASH splash10-00di-9603102000-7fd9260901ea287c913b
Source of Spectrum E-50-558-2
Wiley ID 1415875