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1,2-Dipalmitoylglycero-3-o-methyl-3-(o-beta-palmitoylethyl)thionophosphate

View entire compound with spectra: 2 NMR

1,2-Dipalmitoylglycero-3-o-methyl-3-(o-beta-palmitoylethyl)thionophosphate
SpectraBase Compound ID C9NAyRZnptd
InChI InChI=1S/C54H105O9PS/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-52(55)59-47-48-61-64(65,58-4)62-50-51(63-54(57)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)49-60-53(56)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h51H,5-50H2,1-4H3
InChIKey LQSROZIAEDUMKN-UHFFFAOYSA-N
Mol Weight 961.5 g/mol
Molecular Formula C54H105O9PS
Exact Mass 960.721693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXAqJHhJd7K
Name 1,2-Dipalmitoylglycero-3-o-methyl-3-(o-beta-palmitoylethyl)thionophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 960.721693124 u
Formula C54H105O9PS
InChI InChI=1S/C54H105O9PS/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-52(55)59-47-48-61-64(65,58-4)62-50-51(63-54(57)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)49-60-53(56)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h51H,5-50H2,1-4H3
InChIKey LQSROZIAEDUMKN-UHFFFAOYSA-N
Molecular Weight 961.459 g/mol
SMILES C(COC(CCCCCCCCCCCCCCC)=O)(COP(=S)(OCCOC(=O)CCCCCCCCCCCCCCC)OC)OC(CCCCCCCCCCCCCCC)=O