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3-BENZOYL-2-STEAROYL-1-DEOXY-RAC-SFINGANIN-1-DIETHYLPHOSPHONATE
SpectraBase Compound ID KGfPeVRJxR3
InChI InChI=1S/C47H86NO6P/c1-5-9-11-13-15-17-19-21-22-24-26-28-30-32-37-41-46(49)48-44(42-55(51,52-7-3)53-8-4)45(54-47(50)43-38-34-33-35-39-43)40-36-31-29-27-25-23-20-18-16-14-12-10-6-2/h33-35,38-39,44-45H,5-32,36-37,40-42H2,1-4H3,(H,48,49)
InChIKey FXOSTEHTQVKHSK-UHFFFAOYSA-N
Mol Weight 792.2 g/mol
Molecular Formula C47H86NO6P
Exact Mass 791.619276 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cD2XSKz73g
Name 3-BENZOYL-2-STEAROYL-1-DEOXY-RAC-SFINGANIN-1-DIETHYLPHOSPHONATE
Comments , CDCL3:CD4O=1:1, CHEMICAL SHIFT AXIS INVERTED!
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H86NO6P
InChI InChI=1S/C47H86NO6P/c1-5-9-11-13-15-17-19-21-22-24-26-28-30-32-37-41-46(49)48-44(42-55(51,52-7-3)53-8-4)45(54-47(50)43-38-34-33-35-39-43)40-36-31-29-27-25-23-20-18-16-14-12-10-6-2/h33-35,38-39,44-45H,5-32,36-37,40-42H2,1-4H3,(H,48,49)
InChIKey FXOSTEHTQVKHSK-UHFFFAOYSA-N
Instrument Name Bruker WP-60
Literature Reference A.S.BUSHNEV, N.T.TAZABEKOVA, I.V.NIKOLAEVSKAYA, E.N.ZVONKOVA, R.P.EVSTIGNEEVA(1983) Bioorganich.Khim.(Russ. Lang.): v.9, N4, 553-555.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/CD4O