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2-IMINO-3-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1H,5H-1,5-BENZODIAZEPINE
SpectraBase Compound ID 1DHZ3SUB5Q6
InChI InChI=1S/C36H29N3O8/c37-33-25(20-38-26-18-10-11-19-27(26)39-33)29(40)31-32(47-36(43)24-16-8-3-9-17-24)30(46-35(42)23-14-6-2-7-15-23)28(45-31)21-44-34(41)22-12-4-1-5-13-22/h1-20,28,30-32,38H,21H2,(H2,37,39)/t28-,30-,31+,32-/m0/s1
InChIKey UUMILDUTTOXNAV-JWBWZKDWSA-N
Mol Weight 631.6 g/mol
Molecular Formula C36H29N3O8
Exact Mass 631.195465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YFZnQWHdao
Name 2-IMINO-3-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1H,5H-1,5-BENZODIAZEPINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H29N3O8
InChI InChI=1S/C36H29N3O8/c37-33-25(20-38-26-18-10-11-19-27(26)39-33)29(40)31-32(47-36(43)24-16-8-3-9-17-24)30(46-35(42)23-14-6-2-7-15-23)28(45-31)21-44-34(41)22-12-4-1-5-13-22/h1-20,28,30-32,38H,21H2,(H2,37,39)/t28-,30-,31+,32-/m0/s1
InChIKey UUMILDUTTOXNAV-JWBWZKDWSA-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 631.642 g/mol
Solvent DMSO-D6
Source File Reference UWVP7460