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(1R,3R,4R,7S)-7-BENZYLOXY-7-(3-BENZYLOXY)-PROPYL-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE

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(1R,3R,4R,7S)-7-BENZYLOXY-7-(3-BENZYLOXY)-PROPYL-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID JpJgnTq9tox
InChI InChI=1S/C49H50N2O9/c1-35-30-51(46(53)50-44(35)52)45-43-48(58-32-37-16-9-5-10-17-37,28-13-29-56-31-36-14-7-4-8-15-36)47(60-45,33-57-43)34-59-49(38-18-11-6-12-19-38,39-20-24-41(54-2)25-21-39)40-22-26-42(55-3)27-23-40/h4-12,14-27,30,43,45H,13,28-29,31-34H2,1-3H3,(H,50,52,53)/t43-,45+,47+,48-/m0/s1
InChIKey XBDLAAYKPXPKON-BBUIGECBSA-N
Mol Weight 810.9 g/mol
Molecular Formula C49H50N2O9
Exact Mass 810.351631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cU1apWVJ2x
Name (1R,3R,4R,7S)-7-BENZYLOXY-7-(3-BENZYLOXY)-PROPYL-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H50N2O9
InChI InChI=1S/C49H50N2O9/c1-35-30-51(46(53)50-44(35)52)45-43-48(58-32-37-16-9-5-10-17-37,28-13-29-56-31-36-14-7-4-8-15-36)47(60-45,33-57-43)34-59-49(38-18-11-6-12-19-38,39-20-24-41(54-2)25-21-39)40-22-26-42(55-3)27-23-40/h4-12,14-27,30,43,45H,13,28-29,31-34H2,1-3H3,(H,50,52,53)/t43-,45+,47+,48-/m0/s1
InChIKey XBDLAAYKPXPKON-BBUIGECBSA-N
Literature Reference Author M.MELDGAARD,F.G.HANSEN,J.WENGEL
Literature Reference Citation J.ORG.CHEM.,69,6310(2004)
Literature Reference DOI 10.1021/jo049159a
Molecular Weight 810.944 g/mol
Solvent CDCl3
Source File Reference UWVN22418