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8-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-OCTYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID xeTWTnVeMj
InChI InChI=1S/C24H34BrN5O7S/c25-14-9-15(38-12-14)11-36-22-17-21(28-24(26)29-22)30(13-27-17)7-5-3-1-2-4-6-8-35-23-20(34)19(33)18(32)16(10-31)37-23/h9,12-13,16,18-20,23,31-34H,1-8,10-11H2,(H2,26,28,29)/t16-,18-,19+,20-,23-/m1/s1
InChIKey WAAZBVOGWRQLMB-PUIBNRJISA-N
Mol Weight 616.5 g/mol
Molecular Formula C24H34BrN5O7S
Exact Mass 615.136233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrnCYKiwPoF
Name 8-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-OCTYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H34BrN5O7S
InChI InChI=1S/C24H34BrN5O7S/c25-14-9-15(38-12-14)11-36-22-17-21(28-24(26)29-22)30(13-27-17)7-5-3-1-2-4-6-8-35-23-20(34)19(33)18(32)16(10-31)37-23/h9,12-13,16,18-20,23,31-34H,1-8,10-11H2,(H2,26,28,29)/t16-,18-,19+,20-,23-/m1/s1
InChIKey WAAZBVOGWRQLMB-PUIBNRJISA-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 616.527 g/mol
Sample ID 45161
Solvent DMSO-D6