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(E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[(OCTADECANOYL)-(METHYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
SpectraBase Compound ID H9Y4MOcMWW
InChI InChI=1S/C50H83NO4/c1-4-6-8-10-12-14-15-16-17-18-19-20-22-24-32-40-50(52)51(3)48(45-54-43-46-35-28-26-29-36-46)49(55-44-47-37-30-27-31-38-47)39-34-42-53-41-33-25-23-21-13-11-9-7-5-2/h26-31,34-39,48-49H,4-25,32-33,40-45H2,1-3H3/b39-34+/t48-,49+/m1/s1
InChIKey FQFPPCISLJALBN-SSONCYMZSA-N
Mol Weight 762.2 g/mol
Molecular Formula C50H83NO4
Exact Mass 761.63221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoOI5lpbc1a
Name (E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[(OCTADECANOYL)-(METHYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
Compound Number 18-MAJOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H83NO4
InChI InChI=1S/C50H83NO4/c1-4-6-8-10-12-14-15-16-17-18-19-20-22-24-32-40-50(52)51(3)48(45-54-43-46-35-28-26-29-36-46)49(55-44-47-37-30-27-31-38-47)39-34-42-53-41-33-25-23-21-13-11-9-7-5-2/h26-31,34-39,48-49H,4-25,32-33,40-45H2,1-3H3/b39-34+/t48-,49+/m1/s1
InChIKey FQFPPCISLJALBN-SSONCYMZSA-N
Literature Reference Author R.RAJAN,D.PACE,A.A.GENAZZANI,K.WALLIMANN,A.VASELLA,P.L.CANON ICO,F.CONDORELLI
Literature Reference Citation CHEM.BIODIV.,1,1785(2004)
Literature Reference DOI 10.1002/cbdv.200490134
Molecular Weight 762.213 g/mol
Solvent CDCl3
Source File Reference UWMS21794