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3-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1H-1,5-BENZODIAZEPINE
SpectraBase Compound ID KA5rccvX1nN
InChI InChI=1S/C36H28N2O8/c39-30(26-20-37-27-18-10-11-19-28(27)38-21-26)32-33(46-36(42)25-16-8-3-9-17-25)31(45-35(41)24-14-6-2-7-15-24)29(44-32)22-43-34(40)23-12-4-1-5-13-23/h1-21,29,31-33,37H,22H2/t29-,31-,32+,33-/m1/s1
InChIKey LQVIHEAMJIKMKP-WPXCQFTPSA-N
Mol Weight 616.6 g/mol
Molecular Formula C36H28N2O8
Exact Mass 616.184566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6SqkVOPS8S
Name 3-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1H-1,5-BENZODIAZEPINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28N2O8
InChI InChI=1S/C36H28N2O8/c39-30(26-20-37-27-18-10-11-19-28(27)38-21-26)32-33(46-36(42)25-16-8-3-9-17-25)31(45-35(41)24-14-6-2-7-15-24)29(44-32)22-43-34(40)23-12-4-1-5-13-23/h1-21,29,31-33,37H,22H2/t29-,31-,32+,33-/m1/s1
InChIKey LQVIHEAMJIKMKP-WPXCQFTPSA-N
Literature Reference Author N.NISHIMURA,Y.KOYANO,M.SUGIURA,I.MAEBA
Literature Reference Citation HETEROCYCLES,51,803(1999)
Literature Reference DOI 10.3987/COM-98-8452
Molecular Weight 616.627 g/mol
Solvent CDCl3
Source File Reference UWVP7458