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1-(3,6-DI-O-BENZOYL-2,4-DIDEOXY-ALPHA-D-ERYTHRO-HEXO-PYRANOSYL)-N-BENZOYL-CYTOSINE
SpectraBase Compound ID Hx4l7wcWHwt
InChI InChI=1S/C31H27N3O7/c35-28(21-10-4-1-5-11-21)32-26-16-17-34(31(38)33-26)27-19-24(41-30(37)23-14-8-3-9-15-23)18-25(40-27)20-39-29(36)22-12-6-2-7-13-22/h1-17,24-25,27H,18-20H2,(H,32,33,35,38)/t24-,25-,27-/m0/s1
InChIKey NMYUHJLIZBFLNG-KLJDGLGGSA-N
Mol Weight 553.57 g/mol
Molecular Formula C31H27N3O7
Exact Mass 553.1849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MZZvY2nAh8
Name 1-(3,6-DI-O-BENZOYL-2,4-DIDEOXY-ALPHA-D-ERYTHRO-HEXO-PYRANOSYL)-N-BENZOYL-CYTOSINE
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27N3O7
InChI InChI=1S/C31H27N3O7/c35-28(21-10-4-1-5-11-21)32-26-16-17-34(31(38)33-26)27-19-24(41-30(37)23-14-8-3-9-15-23)18-25(40-27)20-39-29(36)22-12-6-2-7-13-22/h1-17,24-25,27H,18-20H2,(H,32,33,35,38)/t24-,25-,27-/m0/s1
InChIKey NMYUHJLIZBFLNG-KLJDGLGGSA-N
Literature Reference Author K.AUGUSTYNS,J.ROZENSKI,A.VANAERSCHOT,G.JANSSEN,P.HERDEWIJN
Literature Reference Citation J.ORG.CHEM.,58,2977(1993)
Literature Reference DOI 10.1021/jo00063a013
Molecular Weight 553.571 g/mol
Solvent CDCl3
Source File Reference UWRU772