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3-BENZOYL-2-STEAROYL-1-DEOXY-RAC-SFINGANIN-1-PHOSPHONIC ACID
SpectraBase Compound ID 2tbJ72sR0Bz
InChI InChI=1S/C43H78NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-42(45)44-40(38-51(47,48)49)41(50-43(46)39-34-30-29-31-35-39)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,34-35,40-41H,3-28,32-33,36-38H2,1-2H3,(H,44,45)(H2,47,48,49)
InChIKey KLIGLRKXIBEQCN-UHFFFAOYSA-N
Mol Weight 736.1 g/mol
Molecular Formula C43H78NO6P
Exact Mass 735.556676 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9KDGUv9vRB
Name 3-BENZOYL-2-STEAROYL-1-DEOXY-RAC-SFINGANIN-1-PHOSPHONIC ACID
Comments , CDCL3:CD4O=1:1, CHEMICAL SHIFT AXIS INVERTED!
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C43H78NO6P
InChI InChI=1S/C43H78NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-42(45)44-40(38-51(47,48)49)41(50-43(46)39-34-30-29-31-35-39)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,34-35,40-41H,3-28,32-33,36-38H2,1-2H3,(H,44,45)(H2,47,48,49)
InChIKey KLIGLRKXIBEQCN-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