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1-OLEOYL-2-STEAROYL-RAC-GLYCERO-3-THIOLOPHOSPHORYLCHOLINE
SpectraBase Compound ID 1IjlRk94Cn6
InChI InChI=1S/C44H86NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-51-53(48,49)54-39-38-45(3,4)5)52-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20+
InChIKey CVPGTSGNVHZAAH-LSDHQDQOSA-N
Mol Weight 804.2 g/mol
Molecular Formula C44H86NO7PS
Exact Mass 803.586262 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5250ZEdQEDQ
Name 1-OLEOYL-2-STEAROYL-RAC-GLYCERO-3-THIOLOPHOSPHORYLCHOLINE
Comments , SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H86NO7PS
InChI InChI=1S/C44H86NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-51-53(48,49)54-39-38-45(3,4)5)52-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20+
InChIKey CVPGTSGNVHZAAH-LSDHQDQOSA-N
Instrument Name Bruker HX-90
Literature Reference D.A.PREDVODITELEV, KH.KH.ALARKON, E.E.NIFANT'EV (1980) Zhurn.Org.Khim.(Russ.Lang.): v.16, N7, 1549-1550.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform