John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5Tc1u9zEkyH SpectraBase Spectrum ID=5IGyHXeokTY

(accessed ).
TERT.-BUTYL-5-ACETAMIDO-2,6-ANHYDRO-4,7,8,9-TETRA-O-BENZYL-3,5-DIDESOXY-2-C-[(METHYLSULFONYLOXY)-METHYL]-D-ERYTHRO-L-MANNONONONATE
SpectraBase Compound ID 5Tc1u9zEkyH
InChI InChI=1S/C45H55NO11S/c1-33(47)46-40-38(52-28-35-20-12-7-13-21-35)26-45(32-55-58(5,49)50,43(48)57-44(2,3)4)56-42(40)41(54-30-37-24-16-9-17-25-37)39(53-29-36-22-14-8-15-23-36)31-51-27-34-18-10-6-11-19-34/h6-25,38-42H,26-32H2,1-5H3,(H,46,47)/t38-,39-,40+,41+,42+,45-/m0/s1
InChIKey XZVJONYNLCEUFL-OIBLOIRDSA-N
Mol Weight 818.0 g/mol
Molecular Formula C45H55NO11S
Exact Mass 817.349584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IGyHXeokTY
Name TERT.-BUTYL-5-ACETAMIDO-2,6-ANHYDRO-4,7,8,9-TETRA-O-BENZYL-3,5-DIDESOXY-2-C-[(METHYLSULFONYLOXY)-METHYL]-D-ERYTHRO-L-MANNONONONATE
Compound Number 16
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H55NO11S
InChI InChI=1S/C45H55NO11S/c1-33(47)46-40-38(52-28-35-20-12-7-13-21-35)26-45(32-55-58(5,49)50,43(48)57-44(2,3)4)56-42(40)41(54-30-37-24-16-9-17-25-37)39(53-29-36-22-14-8-15-23-36)31-51-27-34-18-10-6-11-19-34/h6-25,38-42H,26-32H2,1-5H3,(H,46,47)/t38-,39-,40+,41+,42+,45-/m0/s1
InChIKey XZVJONYNLCEUFL-OIBLOIRDSA-N
Literature Reference Author K.WALLIMANN,A.VASELLA
Literature Reference Citation HELV.CHIM.ACTA,74,1520(1991)
Literature Reference DOI 10.1002/hlca.19910740716
Molecular Weight 817.992 g/mol
Solvent CDCl3
Source File Reference UWCH50
SpectraBase Batch ID 6wpiwPonUs6