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8-METHYL-4-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID KjPgjdfMMho
InChI InChI=1S/C37H30N2O9/c1-22-17-18-26-27(19-22)39-30(40)20-28(38-26)31(41)33-34(48-37(44)25-15-9-4-10-16-25)32(47-36(43)24-13-7-3-8-14-24)29(46-33)21-45-35(42)23-11-5-2-6-12-23/h2-20,29,32-34,38H,21H2,1H3,(H,39,40)/t29-,32-,33+,34-/m0/s1
InChIKey JHUPEHHIZKSYIN-LBFSXKFDSA-N
Mol Weight 646.7 g/mol
Molecular Formula C37H30N2O9
Exact Mass 646.195131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qHJYPbCE55
Name 8-METHYL-4-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30N2O9
InChI InChI=1S/C37H30N2O9/c1-22-17-18-26-27(19-22)39-30(40)20-28(38-26)31(41)33-34(48-37(44)25-15-9-4-10-16-25)32(47-36(43)24-13-7-3-8-14-24)29(46-33)21-45-35(42)23-11-5-2-6-12-23/h2-20,29,32-34,38H,21H2,1H3,(H,39,40)/t29-,32-,33+,34-/m0/s1
InChIKey JHUPEHHIZKSYIN-LBFSXKFDSA-N
Literature Reference Author Y.ITO,M.WAKIMURA,C.ITO,I.MAEBA
Literature Reference Citation HETEROCYCLES,34,955(1992)
Literature Reference DOI 10.3987/COM-91-5966
Molecular Weight 646.653 g/mol
Solvent CDCl3
Source File Reference UWGE2403