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2-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-ETHYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
SpectraBase Compound ID GRIdmtOnd2B
InChI InChI=1S/C26H30BrN5O11S/c1-12(33)38-9-18-20(40-13(2)34)21(41-14(3)35)22(42-15(4)36)25(43-18)37-6-5-32-11-29-19-23(32)30-26(28)31-24(19)39-8-17-7-16(27)10-44-17/h7,10-11,18,20-22,25H,5-6,8-9H2,1-4H3,(H2,28,30,31)/t18-,20-,21+,22-,25-/m1/s1
InChIKey LICKBJMBVFDZFN-ZOINAQCCSA-N
Mol Weight 700.51 g/mol
Molecular Formula C26H30BrN5O11S
Exact Mass 699.084591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Zq9ZDHMf5S
Name 2-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-ETHYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30BrN5O11S
InChI InChI=1S/C26H30BrN5O11S/c1-12(33)38-9-18-20(40-13(2)34)21(41-14(3)35)22(42-15(4)36)25(43-18)37-6-5-32-11-29-19-23(32)30-26(28)31-24(19)39-8-17-7-16(27)10-44-17/h7,10-11,18,20-22,25H,5-6,8-9H2,1-4H3,(H2,28,30,31)/t18-,20-,21+,22-,25-/m1/s1
InChIKey LICKBJMBVFDZFN-ZOINAQCCSA-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 700.515 g/mol
Sample ID 45147
Solvent CDCl3