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2-(8-AZA-O(6)-BENZYL-GUAN-9-YL)-ETHYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
SpectraBase Compound ID 7BqP8pMLm6z
InChI InChI=1S/C27H32N6O11/c1-14(34)39-13-19-21(41-15(2)35)22(42-16(3)36)23(43-17(4)37)26(44-19)38-11-10-33-24-20(31-32-33)25(30-27(28)29-24)40-12-18-8-6-5-7-9-18/h5-9,19,21-23,26H,10-13H2,1-4H3,(H2,28,29,30)/t19-,21-,22+,23-,26-/m1/s1
InChIKey MSUPIGGOBFUJLA-XZWSAFPPSA-N
Mol Weight 616.6 g/mol
Molecular Formula C27H32N6O11
Exact Mass 616.212906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30sJgyPw08e
Name 2-(8-AZA-O(6)-BENZYL-GUAN-9-YL)-ETHYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N6O11
InChI InChI=1S/C27H32N6O11/c1-14(34)39-13-19-21(41-15(2)35)22(42-16(3)36)23(43-17(4)37)26(44-19)38-11-10-33-24-20(31-32-33)25(30-27(28)29-24)40-12-18-8-6-5-7-9-18/h5-9,19,21-23,26H,10-13H2,1-4H3,(H2,28,29,30)/t19-,21-,22+,23-,26-/m1/s1
InChIKey MSUPIGGOBFUJLA-XZWSAFPPSA-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 616.585 g/mol
Sample ID 45150
Solvent CDCl3