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2-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-ETHYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID EDkjE2FiONL
InChI InChI=1S/C18H22BrN5O7S/c19-8-3-9(32-6-8)5-30-16-11-15(22-18(20)23-16)24(7-21-11)1-2-29-17-14(28)13(27)12(26)10(4-25)31-17/h3,6-7,10,12-14,17,25-28H,1-2,4-5H2,(H2,20,22,23)/t10-,12-,13+,14-,17-/m1/s1
InChIKey KWSYMPFNPPNMRG-LHNVCGPYSA-N
Mol Weight 532.37 g/mol
Molecular Formula C18H22BrN5O7S
Exact Mass 531.042332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GiESQnJjLQ
Name 2-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-ETHYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22BrN5O7S
InChI InChI=1S/C18H22BrN5O7S/c19-8-3-9(32-6-8)5-30-16-11-15(22-18(20)23-16)24(7-21-11)1-2-29-17-14(28)13(27)12(26)10(4-25)31-17/h3,6-7,10,12-14,17,25-28H,1-2,4-5H2,(H2,20,22,23)/t10-,12-,13+,14-,17-/m1/s1
InChIKey KWSYMPFNPPNMRG-LHNVCGPYSA-N
Literature Reference Author J.REINHARD,W.E.HULL,C.W.V.D.LIETH,U.EICHHORN,H.C.KLIEM,B.KAI NA,M.WIESSLER
Literature Reference Citation J.MED.CHEM.,44,4050(2001)
Literature Reference DOI 10.1021/jm010006e
Molecular Weight 532.366 g/mol
Sample ID 45158
Solvent DMSO-D6