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O-(3-BENZOYL-2-STEAROYL-RAC-SFINGANIN-1-YL)-O-(2-CYANOETHYL)-O-(2-TRIMETHYLAMMONIOETHYL)PHOSPHITE TOSYLATE
SpectraBase Compound ID Cb8b3cJCI99
InChI InChI=1S/C51H92N3O6P.C7H8O3S/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-36-41-50(55)53-48(46-59-61(57-44-37-42-52)58-45-43-54(3,4)5)49(60-51(56)47-38-33-32-34-39-47)40-35-30-28-26-24-22-19-17-15-13-11-9-7-2;1-6-2-4-7(5-3-6)11(8,9)10/h32-34,38-39,48-49H,6-31,35-37,40-41,43-46H2,1-5H3;2-5H,1H3,(H,8,9,10)
InChIKey BXGMLYFAKBRPNW-UHFFFAOYSA-N
Mol Weight 1046.5 g/mol
Molecular Formula C58H100N3O9PS
Exact Mass 1045.69179 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOTtM8x7RJ3
Name O-(3-BENZOYL-2-STEAROYL-RAC-SFINGANIN-1-YL)-O-(2-CYANOETHYL)-O-(2-TRIMETHYLAMMONIOETHYL)PHOSPHITE TOSYLATE
Comments , DRY ORGANIC SOLVENT;MSL-250 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C58H100N3O9PS
InChI InChI=1S/C51H92N3O6P.C7H8O3S/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-36-41-50(55)53-48(46-59-61(57-44-37-42-52)58-45-43-54(3,4)5)49(60-51(56)47-38-33-32-34-39-47)40-35-30-28-26-24-22-19-17-15-13-11-9-7-2;1-6-2-4-7(5-3-6)11(8,9)10/h32-34,38-39,48-49H,6-31,35-37,40-41,43-46H2,1-5H3;2-5H,1H3,(H,8,9,10)
InChIKey BXGMLYFAKBRPNW-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