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12-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-DODECYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 4gHfL2DIEKs
InChI InChI=1S/C28H42BrN5O7S/c29-18-13-19(42-16-18)15-40-26-21-25(32-28(30)33-26)34(17-31-21)11-9-7-5-3-1-2-4-6-8-10-12-39-27-24(38)23(37)22(36)20(14-35)41-27/h13,16-17,20,22-24,27,35-38H,1-12,14-15H2,(H2,30,32,33)/t20-,22-,23+,24-,27-/m1/s1
InChIKey PSVPDTKUYKVHTK-UFOFBUIZSA-N
Mol Weight 672.6 g/mol
Molecular Formula C28H42BrN5O7S
Exact Mass 671.198833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxABq5ZqCQr
Name 12-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-DODECYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42BrN5O7S
InChI InChI=1S/C28H42BrN5O7S/c29-18-13-19(42-16-18)15-40-26-21-25(32-28(30)33-26)34(17-31-21)11-9-7-5-3-1-2-4-6-8-10-12-39-27-24(38)23(37)22(36)20(14-35)41-27/h13,16-17,20,22-24,27,35-38H,1-12,14-15H2,(H2,30,32,33)/t20-,22-,23+,24-,27-/m1/s1
InChIKey PSVPDTKUYKVHTK-UFOFBUIZSA-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 672.635 g/mol
Sample ID 45163
Solvent DMSO-D6