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(E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[(OCTADECANOYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
SpectraBase Compound ID J1wEfYcpmWX
InChI InChI=1S/C49H81NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-31-39-49(51)50-47(44-53-42-45-34-27-25-28-35-45)48(54-43-46-36-29-26-30-37-46)38-33-41-52-40-32-24-22-20-12-10-8-6-4-2/h25-30,33-38,47-48H,3-24,31-32,39-44H2,1-2H3,(H,50,51)/b38-33+/t47-,48+/m1/s1
InChIKey CQXZGOMDKNVFAH-MWWJMWOTSA-N
Mol Weight 748.2 g/mol
Molecular Formula C49H81NO4
Exact Mass 747.61656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChYVNLbVFZt
Name (E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[(OCTADECANOYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
Compound Number 1 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H81NO4
InChI InChI=1S/C49H81NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-31-39-49(51)50-47(44-53-42-45-34-27-25-28-35-45)48(54-43-46-36-29-26-30-37-46)38-33-41-52-40-32-24-22-20-12-10-8-6-4-2/h25-30,33-38,47-48H,3-24,31-32,39-44H2,1-2H3,(H,50,51)/b38-33+/t47-,48+/m1/s1
InChIKey CQXZGOMDKNVFAH-MWWJMWOTSA-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 748.186 g/mol
Solvent CDCl3
Source File Reference UWMS21785