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(1R,3R,4R,7S)-7-ALLYL-7-BENZYLOXY-1-(4',4'-DIMETHOXYTRITYL)-OXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID GgLSDDJTUC0
InChI InChI=1S/C42H42N2O8/c1-5-24-41(50-26-30-12-8-6-9-13-30)36-38(44-25-29(2)37(45)43-39(44)46)52-40(41,27-49-36)28-51-42(31-14-10-7-11-15-31,32-16-20-34(47-3)21-17-32)33-18-22-35(48-4)23-19-33/h5-23,25,36,38H,1,24,26-28H2,2-4H3,(H,43,45,46)/t36-,38+,40+,41-/m0/s1
InChIKey SHWFTSHFMKHPDO-IDKMLXRVSA-N
Mol Weight 702.8 g/mol
Molecular Formula C42H42N2O8
Exact Mass 702.294116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jdc3HnJqcrs
Name (1R,3R,4R,7S)-7-ALLYL-7-BENZYLOXY-1-(4',4'-DIMETHOXYTRITYL)-OXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42N2O8
InChI InChI=1S/C42H42N2O8/c1-5-24-41(50-26-30-12-8-6-9-13-30)36-38(44-25-29(2)37(45)43-39(44)46)52-40(41,27-49-36)28-51-42(31-14-10-7-11-15-31,32-16-20-34(47-3)21-17-32)33-18-22-35(48-4)23-19-33/h5-23,25,36,38H,1,24,26-28H2,2-4H3,(H,43,45,46)/t36-,38+,40+,41-/m0/s1
InChIKey SHWFTSHFMKHPDO-IDKMLXRVSA-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 702.804 g/mol
Solvent CDCl3
Source File Reference UWVN22408