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3-(2-BROMOACETAMIDO)-PROPYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6uEHg01ttaF
InChI InChI=1S/C39H36BrNO11/c40-24-31(42)41-22-13-23-47-39-34(52-38(46)29-20-11-4-12-21-29)33(51-37(45)28-18-9-3-10-19-28)32(50-36(44)27-16-7-2-8-17-27)30(49-39)25-48-35(43)26-14-5-1-6-15-26/h1-12,14-21,30,32-34,39H,13,22-25H2,(H,41,42)/t30-,32-,33+,34-,39-/m0/s1
InChIKey OGBHLGUZYVBJBM-BIBSYNTRSA-N
Mol Weight 774.6 g/mol
Molecular Formula C39H36BrNO11
Exact Mass 773.147174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2O8MBxkW9Hm
Name 3-(2-BROMOACETAMIDO)-PROPYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H36BrNO11
InChI InChI=1S/C39H36BrNO11/c40-24-31(42)41-22-13-23-47-39-34(52-38(46)29-20-11-4-12-21-29)33(51-37(45)28-18-9-3-10-19-28)32(50-36(44)27-16-7-2-8-17-27)30(49-39)25-48-35(43)26-14-5-1-6-15-26/h1-12,14-21,30,32-34,39H,13,22-25H2,(H,41,42)/t30-,32-,33+,34-,39-/m0/s1
InChIKey OGBHLGUZYVBJBM-BIBSYNTRSA-N
Literature Reference Author C.CARPENTER,S.A.NEPOGODIEV
Literature Reference Citation EUR.J.ORG.CHEM.,3286(2005)
Molecular Weight 774.619 g/mol
Sample ID 30056
Solvent CDCl3