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(1S,3R,5R,6R,8R)-3-ACETOXYMETHYL-5-BENZYLOXY-6-BENZYLOXYMETHYL-8-(THYMIN-1-YL)-2,7-DIOXABICYCLO-[3.3.0]-OCTANE
SpectraBase Compound ID 2mtfNtawTnj
InChI InChI=1S/C29H32N2O8/c1-19-14-31(28(34)30-26(19)33)27-25-29(13-23(38-25)17-36-20(2)32,37-16-22-11-7-4-8-12-22)24(39-27)18-35-15-21-9-5-3-6-10-21/h3-12,14,23-25,27H,13,15-18H2,1-2H3,(H,30,33,34)/t23-,24-,25-,27-,29-/m1/s1
InChIKey WHDKRWQCMKFZRF-VZATUBOQSA-N
Mol Weight 536.6 g/mol
Molecular Formula C29H32N2O8
Exact Mass 536.215866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhXLtepYes4
Name (1S,3R,5R,6R,8R)-3-ACETOXYMETHYL-5-BENZYLOXY-6-BENZYLOXYMETHYL-8-(THYMIN-1-YL)-2,7-DIOXABICYCLO-[3.3.0]-OCTANE
Compound Number 11R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32N2O8
InChI InChI=1S/C29H32N2O8/c1-19-14-31(28(34)30-26(19)33)27-25-29(13-23(38-25)17-36-20(2)32,37-16-22-11-7-4-8-12-22)24(39-27)18-35-15-21-9-5-3-6-10-21/h3-12,14,23-25,27H,13,15-18H2,1-2H3,(H,30,33,34)/t23-,24-,25-,27-,29-/m1/s1
InChIKey WHDKRWQCMKFZRF-VZATUBOQSA-N
Literature Reference Author M.RAUNKJAER,C.E.OLSEN,J.WENGEL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2543(1999)
Molecular Weight 536.582 g/mol
Solvent DMSO-D6
Source File Reference UWGE3718