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N-(4)-BENZOYL-N-(1)-(2-O-BENZYL-5-O-BENZOYL-3-DEOXY-3,3-DIFLUORO-D-ARABINOFURANOSYL)-CYTOSINE
SpectraBase Compound ID LbvrDdzCXqc
InChI InChI=1S/2C30H25F2N3O6/c2*31-30(32)23(19-40-28(37)22-14-8-3-9-15-22)41-27(25(30)39-18-20-10-4-1-5-11-20)35-17-16-24(34-29(35)38)33-26(36)21-12-6-2-7-13-21/h2*1-17,23,25,27H,18-19H2,(H,33,34,36,38)/t2*23-,25-,27-/m11/s1
InChIKey CFPCGRVPFHZACC-RQOVHTSOSA-N
Mol Weight 1123.08 g/mol
Molecular Formula C60H50F4N6O12
Exact Mass 1122.342284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlyKP1OC64U
Name N-(4)-BENZOYL-N-(1)-(2-O-BENZYL-5-O-BENZOYL-3-DEOXY-3,3-DIFLUORO-D-ARABINOFURANOSYL)-CYTOSINE
Compound Number 20 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H50F4N6O12
InChI InChI=1S/2C30H25F2N3O6/c2*31-30(32)23(19-40-28(37)22-14-8-3-9-15-22)41-27(25(30)39-18-20-10-4-1-5-11-20)35-17-16-24(34-29(35)38)33-26(36)21-12-6-2-7-13-21/h2*1-17,23,25,27H,18-19H2,(H,33,34,36,38)/t2*23-,25-,27-/m11/s1
InChIKey CFPCGRVPFHZACC-RQOVHTSOSA-N
Literature Reference Author X.ZHANG,H.XIA,X.DONG,J.JIN,W.D.MENG,F.L.QING
Literature Reference Citation J.ORG.CHEM.,68,9026(2003)
Literature Reference DOI 10.1021/jo034512i
Molecular Weight 1123.084 g/mol
Solvent CDCl3
Source File Reference UWVN25688