For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-BUTYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
SpectraBase Compound ID 52HcU1v8Avn
InChI InChI=1S/C28H34BrN5O11S/c1-14(35)40-11-20-22(42-15(2)36)23(43-16(3)37)24(44-17(4)38)27(45-20)39-8-6-5-7-34-13-31-21-25(34)32-28(30)33-26(21)41-10-19-9-18(29)12-46-19/h9,12-13,20,22-24,27H,5-8,10-11H2,1-4H3,(H2,30,32,33)/t20-,22-,23+,24-,27-/m1/s1
InChIKey KZJVBIUMBBLBIQ-UFOFBUIZSA-N
Mol Weight 728.6 g/mol
Molecular Formula C28H34BrN5O11S
Exact Mass 727.115891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3av8GT1bEqB
Name 4-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-BUTYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34BrN5O11S
InChI InChI=1S/C28H34BrN5O11S/c1-14(35)40-11-20-22(42-15(2)36)23(43-16(3)37)24(44-17(4)38)27(45-20)39-8-6-5-7-34-13-31-21-25(34)32-28(30)33-26(21)41-10-19-9-18(29)12-46-19/h9,12-13,20,22-24,27H,5-8,10-11H2,1-4H3,(H2,30,32,33)/t20-,22-,23+,24-,27-/m1/s1
InChIKey KZJVBIUMBBLBIQ-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 728.569 g/mol
Sample ID 45166
Solvent CDCl3