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2-[O(6)-BENZYLGUAN-9-YL]-ETHYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 2VGX3xAzfd3
InChI InChI=1S/C20H25N5O7/c21-20-23-17-13(18(24-20)31-9-11-4-2-1-3-5-11)22-10-25(17)6-7-30-19-16(29)15(28)14(27)12(8-26)32-19/h1-5,10,12,14-16,19,26-29H,6-9H2,(H2,21,23,24)/t12-,14-,15+,16-,19-/m1/s1
InChIKey DVXUUXCZPNEBFC-IIRRGFMQSA-N
Mol Weight 447.45 g/mol
Molecular Formula C20H25N5O7
Exact Mass 447.175398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHoLRXGIPPu
Name 2-[O(6)-BENZYLGUAN-9-YL]-ETHYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N5O7
InChI InChI=1S/C20H25N5O7/c21-20-23-17-13(18(24-20)31-9-11-4-2-1-3-5-11)22-10-25(17)6-7-30-19-16(29)15(28)14(27)12(8-26)32-19/h1-5,10,12,14-16,19,26-29H,6-9H2,(H2,21,23,24)/t12-,14-,15+,16-,19-/m1/s1
InChIKey DVXUUXCZPNEBFC-IIRRGFMQSA-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 447.448 g/mol
Sample ID 45157
Solvent DMSO-D6