John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BIrOq38l3nU SpectraBase Spectrum ID=CVWZBuxlOas

(accessed ).
2-[2-(2-CYANOETHOXY)-ETHOXY]-ETHYL-2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID BIrOq38l3nU
InChI InChI=1S/C41H39NO12/c42-22-13-23-47-24-25-48-26-27-49-41-36(54-40(46)32-20-11-4-12-21-32)35(53-39(45)31-18-9-3-10-19-31)34(52-38(44)30-16-7-2-8-17-30)33(51-41)28-50-37(43)29-14-5-1-6-15-29/h1-12,14-21,33-36,41H,13,23-28H2/t33-,34-,35+,36+,41+/m0/s1
InChIKey DYMVPADKHMGPRS-CRXAONIASA-N
Mol Weight 737.8 g/mol
Molecular Formula C41H39NO12
Exact Mass 737.247226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVWZBuxlOas
Name 2-[2-(2-CYANOETHOXY)-ETHOXY]-ETHYL-2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSIDE
Compound Number 28
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H39NO12
InChI InChI=1S/C41H39NO12/c42-22-13-23-47-24-25-48-26-27-49-41-36(54-40(46)32-20-11-4-12-21-32)35(53-39(45)31-18-9-3-10-19-31)34(52-38(44)30-16-7-2-8-17-30)33(51-41)28-50-37(43)29-14-5-1-6-15-29/h1-12,14-21,33-36,41H,13,23-28H2/t33-,34-,35+,36+,41+/m0/s1
InChIKey DYMVPADKHMGPRS-CRXAONIASA-N
Literature Reference Author R.H.FURNEAUX,Z.PAKULSKI,P.C.TYLER
Literature Reference Citation CAN.J.CHEM.,80,964(2002)
Literature Reference DOI 10.1139/v02-120
Molecular Weight 737.760 g/mol
Solvent CDCl3
Source File Reference UWVN27353
SpectraBase Batch ID IqQ36klOpYI