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

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(1S,3R,4S,7R)-3-(4-N-BENZOYL-5-METHYLCYTOSIN-1-YL)-1-[[(4,4'-DIMETHOXYTRITYL)-OXY]-METHYL]-7-HYDROXY-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID 5yqxuEO1plc
InChI InChI=1S/C39H37N3O8/c1-25-22-42(37(45)41-34(25)40-35(44)26-10-6-4-7-11-26)36-32-33(43)38(50-36,23-48-32)24-49-39(27-12-8-5-9-13-27,28-14-18-30(46-2)19-15-28)29-16-20-31(47-3)21-17-29/h4-22,32-33,36,43H,23-24H2,1-3H3,(H,40,41,44,45)/t32-,33+,36+,38-/m0/s1
InChIKey CTGWFRQUULNNIN-NAPKFFDZSA-N
Mol Weight 675.7 g/mol
Molecular Formula C39H37N3O8
Exact Mass 675.258065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zXhLe6dnne
Name (1S,3R,4S,7R)-3-(4-N-BENZOYL-5-METHYLCYTOSIN-1-YL)-1-[[(4,4'-DIMETHOXYTRITYL)-OXY]-METHYL]-7-HYDROXY-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H37N3O8
InChI InChI=1S/C39H37N3O8/c1-25-22-42(37(45)41-34(25)40-35(44)26-10-6-4-7-11-26)36-32-33(43)38(50-36,23-48-32)24-49-39(27-12-8-5-9-13-27,28-14-18-30(46-2)19-15-28)29-16-20-31(47-3)21-17-29/h4-22,32-33,36,43H,23-24H2,1-3H3,(H,40,41,44,45)/t32-,33+,36+,38-/m0/s1
InChIKey CTGWFRQUULNNIN-NAPKFFDZSA-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 675.738 g/mol
Sample ID 47832
Solvent CDCl3