For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[(OCTADECANE-THIOYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
SpectraBase Compound ID LCiiAnLsewA
InChI InChI=1S/C49H81NO3S/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-31-39-49(54)50-47(44-52-42-45-34-27-25-28-35-45)48(53-43-46-36-29-26-30-37-46)38-33-41-51-40-32-24-22-20-12-10-8-6-4-2/h25-30,33-38,47-48H,3-24,31-32,39-44H2,1-2H3,(H,50,54)/b38-33+/t47-,48+/m1/s1
InChIKey NXBCXJSCVPFXIW-MWWJMWOTSA-N
Mol Weight 764.3 g/mol
Molecular Formula C49H81NO3S
Exact Mass 763.593717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID rqtuBtK1tv
Name (E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[(OCTADECANE-THIOYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H81NO3S
InChI InChI=1S/C49H81NO3S/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-31-39-49(54)50-47(44-52-42-45-34-27-25-28-35-45)48(53-43-46-36-29-26-30-37-46)38-33-41-51-40-32-24-22-20-12-10-8-6-4-2/h25-30,33-38,47-48H,3-24,31-32,39-44H2,1-2H3,(H,50,54)/b38-33+/t47-,48+/m1/s1
InChIKey NXBCXJSCVPFXIW-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 764.247 g/mol
Solvent CDCl3
Source File Reference UWMS21789