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Ethanaminium, 2-[[[2,3-bis[(1-oxo-9-octadecenyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, (R)-
SpectraBase Compound ID GsSnfYOmCLG
InChI InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20+,23-21+
InChIKey SNKAWJBJQDLSFF-DQPVQCHKSA-N
Mol Weight 786.1 g/mol
Molecular Formula C44H84NO8P
Exact Mass 785.593456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiTBP1Nuy6l
Name Ethanaminium, 2-[[[2,3-bis[(1-oxo-9-octadecenyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, (R)-
CAS Registry Number 56648-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H84NO8P
InChI InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20+,23-21+
InChIKey SNKAWJBJQDLSFF-DQPVQCHKSA-N
Molecular Weight 786.129 g/mol
SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCCCC
SPLASH splash10-0apm-9311000000-140d9b1448b20906d3a2
Source of Spectrum EP-5266-0-0
Synonyms 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl 2-(trimethylammonio)ethyl phosphate 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl 2-(trimethylammonio)ethyl phosphate 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate 3,5,9-Trioxa-5-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)-
Wiley ID 1416953