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3-BENZOYL-2-STEAROYL-RAC-SFINGANIN-1-(2-CYANOETHYL)-H-PHOSPHONATE
SpectraBase Compound ID 9ZHd941oQRa
InChI InChI=1S/C46H81N2O6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-38-45(49)48-43(41-53-55(51)52-40-34-39-47)44(54-46(50)42-35-30-29-31-36-42)37-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,35-36,43-44,55H,3-28,32-34,37-38,40-41H2,1-2H3,(H,48,49)
InChIKey VKCFTCHHGLREHS-UHFFFAOYSA-N
Mol Weight 789.1 g/mol
Molecular Formula C46H81N2O6P
Exact Mass 788.583225 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4AsTqtzKWA
Name 3-BENZOYL-2-STEAROYL-RAC-SFINGANIN-1-(2-CYANOETHYL)-H-PHOSPHONATE
Comments , DRY ORGANIC SOLVENT;MSL-250 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H81N2O6P
InChI InChI=1S/C46H81N2O6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-38-45(49)48-43(41-53-55(51)52-40-34-39-47)44(54-46(50)42-35-30-29-31-36-42)37-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,35-36,43-44,55H,3-28,32-34,37-38,40-41H2,1-2H3,(H,48,49)
InChIKey VKCFTCHHGLREHS-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