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4-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-BUT-2-YNYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
SpectraBase Compound ID GKAJC7FgObv
InChI InChI=1S/C28H30BrN5O11S/c1-14(35)40-11-20-22(42-15(2)36)23(43-16(3)37)24(44-17(4)38)27(45-20)39-8-6-5-7-34-13-31-25-21(34)26(33-28(30)32-25)41-10-19-9-18(29)12-46-19/h9,12-13,20,22-24,27H,7-8,10-11H2,1-4H3,(H2,30,32,33)/t20-,22-,23+,24-,27-/m1/s1
InChIKey VXGIXMQXUXAMGF-UFOFBUIZSA-N
Mol Weight 724.54 g/mol
Molecular Formula C28H30BrN5O11S
Exact Mass 723.084591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mJdSdDtxsT
Name 4-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-BUT-2-YNYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30BrN5O11S
InChI InChI=1S/C28H30BrN5O11S/c1-14(35)40-11-20-22(42-15(2)36)23(43-16(3)37)24(44-17(4)38)27(45-20)39-8-6-5-7-34-13-31-25-21(34)26(33-28(30)32-25)41-10-19-9-18(29)12-46-19/h9,12-13,20,22-24,27H,7-8,10-11H2,1-4H3,(H2,30,32,33)/t20-,22-,23+,24-,27-/m1/s1
InChIKey VXGIXMQXUXAMGF-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 724.537 g/mol
Sample ID 45149
Solvent CDCl3