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O-(3-BENZOYL-2-STEAROYL-RAC-SFINGANIN-1-YL)-O-METHYL-O-(2-TRIMETHYLAMMONIOETHYL)THIONPHOSPHATE TOSYLATE
SpectraBase Compound ID Sr3mRnugAA
InChI InChI=1S/C49H91N2O6PS.C7H8O3S/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37-41-48(52)50-46(44-56-58(59,54-6)55-43-42-51(3,4)5)47(57-49(53)45-38-34-33-35-39-45)40-36-31-29-27-25-23-20-18-16-14-12-10-8-2;1-6-2-4-7(5-3-6)11(8,9)10/h33-35,38-39,46-47H,7-32,36-37,40-44H2,1-6H3;2-5H,1H3,(H,8,9,10)
InChIKey QELUEAKNDJTROW-UHFFFAOYSA-N
Mol Weight 1039.5 g/mol
Molecular Formula C56H99N2O9PS2
Exact Mass 1038.652962 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S9YCL5uTyi
Name O-(3-BENZOYL-2-STEAROYL-RAC-SFINGANIN-1-YL)-O-METHYL-O-(2-TRIMETHYLAMMONIOETHYL)THIONPHOSPHATE TOSYLATE
Comments , DRY ORGANIC SOLVENT;MSL-250 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C56H99N2O9PS2
InChI InChI=1S/C49H91N2O6PS.C7H8O3S/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37-41-48(52)50-46(44-56-58(59,54-6)55-43-42-51(3,4)5)47(57-49(53)45-38-34-33-35-39-45)40-36-31-29-27-25-23-20-18-16-14-12-10-8-2;1-6-2-4-7(5-3-6)11(8,9)10/h33-35,38-39,46-47H,7-32,36-37,40-44H2,1-6H3;2-5H,1H3,(H,8,9,10)
InChIKey QELUEAKNDJTROW-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.FRANTOVA, A.S.BUSHNEV, E.N.ZVONKOVA, V.I.SHVETS (1991)Bioorganich.Khim.(Russ. Lang.): v.17, N11, 1562-1573.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported