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(E)-1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-3-(2-AMINO)-ANILINO-1-OXO-2-PROPENE-2-CARBONITRILE
SpectraBase Compound ID Jm6oX3tdSrX
InChI InChI=1S/C36H29N3O8/c37-20-26(21-39-28-19-11-10-18-27(28)38)30(40)32-33(47-36(43)25-16-8-3-9-17-25)31(46-35(42)24-14-6-2-7-15-24)29(45-32)22-44-34(41)23-12-4-1-5-13-23/h1-19,21,29,31-33,39H,22,38H2/b26-21+/t29-,31-,32+,33-/m0/s1
InChIKey SOPHWEQEKIWJFP-PGPXTGQCSA-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 73UW5bz17eP
Name (E)-1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-3-(2-AMINO)-ANILINO-1-OXO-2-PROPENE-2-CARBONITRILE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H29N3O8
InChI InChI=1S/C36H29N3O8/c37-20-26(21-39-28-19-11-10-18-27(28)38)30(40)32-33(47-36(43)25-16-8-3-9-17-25)31(46-35(42)24-14-6-2-7-15-24)29(45-32)22-44-34(41)23-12-4-1-5-13-23/h1-19,21,29,31-33,39H,22,38H2/b26-21+/t29-,31-,32+,33-/m0/s1
InChIKey SOPHWEQEKIWJFP-PGPXTGQCSA-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 CDCl3
Source File Reference UWVP7462