John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F1jG1Nj7zWY SpectraBase Spectrum ID=HleUpc00w2h

(accessed ).
(E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[[(2-NITROPHENYL)-SULFONYL]-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
SpectraBase Compound ID F1jG1Nj7zWY
InChI InChI=1S/C37H50N2O7S/c1-2-3-4-5-6-7-8-9-18-27-44-28-19-25-36(46-30-33-22-14-11-15-23-33)34(31-45-29-32-20-12-10-13-21-32)38-47(42,43)37-26-17-16-24-35(37)39(40)41/h10-17,19-26,34,36,38H,2-9,18,27-31H2,1H3/b25-19+/t34-,36+/m0/s1
InChIKey LLRIEMOMLSBOJC-ZMYFQISXSA-N
Mol Weight 666.9 g/mol
Molecular Formula C37H50N2O7S
Exact Mass 666.333874 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 HleUpc00w2h
Name (E)-1,3-DI-O-BENZYL-2,4,5-TRIDEOXY-2-[[(2-NITROPHENYL)-SULFONYL]-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
Compound Number 15
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H50N2O7S
InChI InChI=1S/C37H50N2O7S/c1-2-3-4-5-6-7-8-9-18-27-44-28-19-25-36(46-30-33-22-14-11-15-23-33)34(31-45-29-32-20-12-10-13-21-32)38-47(42,43)37-26-17-16-24-35(37)39(40)41/h10-17,19-26,34,36,38H,2-9,18,27-31H2,1H3/b25-19+/t34-,36+/m0/s1
InChIKey LLRIEMOMLSBOJC-ZMYFQISXSA-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 666.873 g/mol
Solvent CDCl3
Source File Reference UWMS21791
SpectraBase Batch ID E22ctiMVRQg