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(1R,3R,4S,7R)-3-(ADENIN-9-YL)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID Cyuxx1U9zMo
InChI InChI=1S/2C11H13N5O4/c2*12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(18)11(1-17,20-10)2-19-6/h2*3-4,6-7,10,17-18H,1-2H2,(H2,12,13,14)/t2*6-,7+,10+,11+/m11/s1
InChIKey MVHUTQCAXRROKL-KDHKWKKNSA-N
Mol Weight 558.51 g/mol
Molecular Formula C22H26N10O8
Exact Mass 558.193508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7xgxXtZpbj
Name (1R,3R,4S,7R)-3-(ADENIN-9-YL)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N10O8
InChI InChI=1S/2C11H13N5O4/c2*12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(18)11(1-17,20-10)2-19-6/h2*3-4,6-7,10,17-18H,1-2H2,(H2,12,13,14)/t2*6-,7+,10+,11+/m11/s1
InChIKey MVHUTQCAXRROKL-KDHKWKKNSA-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 558.511 g/mol
Sample ID 47840
Solvent DMSO-D6