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o,o-Dibenzyl-o-1,2-di-o-stearoyl-rac-glycero-3-thiophosphate

View entire compound with spectra: 2 NMR

o,o-Dibenzyl-o-1,2-di-o-stearoyl-rac-glycero-3-thiophosphate
SpectraBase Compound ID LtVF8l6QuiX
InChI InChI=1S/C53H89O7PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-52(54)56-47-51(60-53(55)44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48-59-61(62,57-45-49-39-33-31-34-40-49)58-46-50-41-35-32-36-42-50/h31-36,39-42,51H,3-30,37-38,43-48H2,1-2H3
InChIKey IDYUECVIHXAIDH-UHFFFAOYSA-N
Mol Weight 901.3 g/mol
Molecular Formula C53H89O7PS
Exact Mass 900.606663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVonwpX835p
Name o,o-Dibenzyl-o-1,2-di-o-stearoyl-rac-glycero-3-thiophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 900.606663371 u
Formula C53H89O7PS
InChI InChI=1S/C53H89O7PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-52(54)56-47-51(60-53(55)44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48-59-61(62,57-45-49-39-33-31-34-40-49)58-46-50-41-35-32-36-42-50/h31-36,39-42,51H,3-30,37-38,43-48H2,1-2H3
InChIKey IDYUECVIHXAIDH-UHFFFAOYSA-N
Molecular Weight 901.322 g/mol
SMILES C(COC(=O)CCCCCCCCCCCCCCCCC)(COP(OCc1ccccc1)(OCc1ccccc1)=S)OC(=O)CCCCCCCCCCCCCCCCC