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1,7-DIMETHYL-4-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID LqPx4c643Cc
InChI InChI=1S/C37H32N2O8/c1-23-18-19-29-27(20-23)38-28(21-31(40)39(29)2)32-34(47-37(43)26-16-10-5-11-17-26)33(46-36(42)25-14-8-4-9-15-25)30(45-32)22-44-35(41)24-12-6-3-7-13-24/h3-21,30,32-34,38H,22H2,1-2H3/t30-,32+,33-,34+/m0/s1
InChIKey AKMWTSLXMLGGQQ-HHNBWTQHSA-N
Mol Weight 632.7 g/mol
Molecular Formula C37H32N2O8
Exact Mass 632.215866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2QgqpFgJES
Name 1,7-DIMETHYL-4-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H32N2O8
InChI InChI=1S/C37H32N2O8/c1-23-18-19-29-27(20-23)38-28(21-31(40)39(29)2)32-34(47-37(43)26-16-10-5-11-17-26)33(46-36(42)25-14-8-4-9-15-25)30(45-32)22-44-35(41)24-12-6-3-7-13-24/h3-21,30,32-34,38H,22H2,1-2H3/t30-,32+,33-,34+/m0/s1
InChIKey AKMWTSLXMLGGQQ-HHNBWTQHSA-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 632.670 g/mol
Solvent CDCl3
Source File Reference UWGE2412