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

*Links on SpectraBase are not permalinks.
#11;6-(BENZYLOXYCARBONYLAMINO)-HEXYL-6-O-BENZYL-2,3-DI-O-(4-FLUOROBENZOYL)-4-O-[2-(4-FLUOROPHENYL-SULFONYL)-ETHOXY-CARBOLYL]-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 7XLzQCYTS6B
InChI InChI=1S/C50H50F3NO14S/c51-38-19-15-36(16-20-38)46(55)66-44-43(68-50(58)63-29-30-69(59,60)41-25-23-40(53)24-26-41)42(33-61-31-34-11-5-3-6-12-34)65-48(45(44)67-47(56)37-17-21-39(52)22-18-37)62-28-10-2-1-9-27-54-49(57)64-32-35-13-7-4-8-14-35/h3-8,11-26,42-45,48H,1-2,9-10,27-33H2,(H,54,57)/t42-,43+,44+,45-,48-/m1/s1
InChIKey XFGKNSWCOKOTOK-RIYTZZJKSA-N
Mol Weight 978.0 g/mol
Molecular Formula C50H50F3NO14S
Exact Mass 977.290411 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F 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 3BhoCVd6PSc
Name #11;6-(BENZYLOXYCARBONYLAMINO)-HEXYL-6-O-BENZYL-2,3-DI-O-(4-FLUOROBENZOYL)-4-O-[2-(4-FLUOROPHENYL-SULFONYL)-ETHOXY-CARBOLYL]-BETA-D-GALACTOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H50F3NO14S
InChI InChI=1S/C50H50F3NO14S/c51-38-19-15-36(16-20-38)46(55)66-44-43(68-50(58)63-29-30-69(59,60)41-25-23-40(53)24-26-41)42(33-61-31-34-11-5-3-6-12-34)65-48(45(44)67-47(56)37-17-21-39(52)22-18-37)62-28-10-2-1-9-27-54-49(57)64-32-35-13-7-4-8-14-35/h3-8,11-26,42-45,48H,1-2,9-10,27-33H2,(H,54,57)/t42-,43+,44+,45-,48-/m1/s1
InChIKey XFGKNSWCOKOTOK-RIYTZZJKSA-N
Literature Reference Author S.SPJUT,W.QIAN,M.ELOFSSON
Literature Reference Citation MOLECULES,15,5708(2010)
Literature Reference DOI 10.3390/molecules15085708
Solvent CDCl3
Source File Reference UWLU71563