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(1S,3R,4S,7R)-1-[[(4,4'-DIMETHOXYTRITYL)-OXY-]-METHYL-7-HYDROXY-3-(6-N-BENZOYLADENIN-9-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE

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(1S,3R,4S,7R)-1-[[(4,4'-DIMETHOXYTRITYL)-OXY-]-METHYL-7-HYDROXY-3-(6-N-BENZOYLADENIN-9-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID 5KdxHJih8DX
InChI InChI=1S/C39H35N5O7/c1-47-29-17-13-27(14-18-29)39(26-11-7-4-8-12-26,28-15-19-30(48-2)20-16-28)50-22-38-21-49-32(33(38)45)37(51-38)44-24-42-31-34(40-23-41-35(31)44)43-36(46)25-9-5-3-6-10-25/h3-20,23-24,32-33,37,45H,21-22H2,1-2H3,(H,40,41,43,46)/t32-,33+,37+,38-/m1/s1
InChIKey QKRIAIFSTHOZRG-MUBDLGOHSA-N
Mol Weight 685.7 g/mol
Molecular Formula C39H35N5O7
Exact Mass 685.253648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2qdYKHuqtv
Name (1S,3R,4S,7R)-1-[[(4,4'-DIMETHOXYTRITYL)-OXY-]-METHYL-7-HYDROXY-3-(6-N-BENZOYLADENIN-9-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H35N5O7
InChI InChI=1S/C39H35N5O7/c1-47-29-17-13-27(14-18-29)39(26-11-7-4-8-12-26,28-15-19-30(48-2)20-16-28)50-22-38-21-49-32(33(38)45)37(51-38)44-24-42-31-34(40-23-41-35(31)44)43-36(46)25-9-5-3-6-10-25/h3-20,23-24,32-33,37,45H,21-22H2,1-2H3,(H,40,41,43,46)/t32-,33+,37+,38-/m1/s1
InChIKey QKRIAIFSTHOZRG-MUBDLGOHSA-N
Literature Reference Author M.D.SORENSEN,L.KVAERNO,T.BRYLD,A.E.HAKANSSON,B.VERBEURE,G.GA UBERT,P.HERDEWIJN,J.
Literature Reference Citation J.AM.CHEM.SOC.,124,2164(2002)
Literature Reference DOI 10.1021/ja0168763
Molecular Weight 685.736 g/mol
Sample ID 47841
Solvent CDCl3