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(1R,3R,4S,7R)-3-(6-N-BENZOYLADENIN-9-YL)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID DZWJDT7zlGn
InChI InChI=1S/C18H17N5O5/c24-6-18-7-27-12(13(18)25)17(28-18)23-9-21-11-14(19-8-20-15(11)23)22-16(26)10-4-2-1-3-5-10/h1-5,8-9,12-13,17,24-25H,6-7H2,(H,19,20,22,26)/t12-,13+,17+,18+/m1/s1
InChIKey LWLHBOKWFIOXPA-QISBLDNZSA-N
Mol Weight 383.36 g/mol
Molecular Formula C18H17N5O5
Exact Mass 383.122969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEHbKRhUSZT
Name (1R,3R,4S,7R)-3-(6-N-BENZOYLADENIN-9-YL)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N5O5
InChI InChI=1S/C18H17N5O5/c24-6-18-7-27-12(13(18)25)17(28-18)23-9-21-11-14(19-8-20-15(11)23)22-16(26)10-4-2-1-3-5-10/h1-5,8-9,12-13,17,24-25H,6-7H2,(H,19,20,22,26)/t12-,13+,17+,18+/m1/s1
InChIKey LWLHBOKWFIOXPA-QISBLDNZSA-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 383.363 g/mol
Sample ID 47839
Solvent DMSO-D6