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9-[1'-O-METHANESULFONYL-3',4'-O-ACETYL-6'-O-(4-TOLUOYL)-BETA-D-PSICOFURANOSYL]-N-(6)-BENZOYLADENINE
SpectraBase Compound ID FtBwFg8DbPW
InChI InChI=1S/C31H31N5O11S/c1-18-10-12-22(13-11-18)30(40)43-14-23-25(45-19(2)37)26(46-20(3)38)31(47-23,15-44-48(4,41)42)36-17-34-24-27(32-16-33-28(24)36)35-29(39)21-8-6-5-7-9-21/h5-13,16-17,23,25-26H,14-15H2,1-4H3,(H,32,33,35,39)/t23-,25-,26-,31-/m1/s1
InChIKey TYKWIDXERMYKHU-RAYZIOHUSA-N
Mol Weight 681.67 g/mol
Molecular Formula C31H31N5O11S
Exact Mass 681.174078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7oGHEyzLWL
Name 9-[1'-O-METHANESULFONYL-3',4'-O-ACETYL-6'-O-(4-TOLUOYL)-BETA-D-PSICOFURANOSYL]-N-(6)-BENZOYLADENINE
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H31N5O11S
InChI InChI=1S/C31H31N5O11S/c1-18-10-12-22(13-11-18)30(40)43-14-23-25(45-19(2)37)26(46-20(3)38)31(47-23,15-44-48(4,41)42)36-17-34-24-27(32-16-33-28(24)36)35-29(39)21-8-6-5-7-9-21/h5-13,16-17,23,25-26H,14-15H2,1-4H3,(H,32,33,35,39)/t23-,25-,26-,31-/m1/s1
InChIKey TYKWIDXERMYKHU-RAYZIOHUSA-N
Literature Reference Author P.I.PRADEEPKUMAR,P.CHERUKU,O.PLASHKEVYCH,P.ACHARYA,S.GOHIL,J .CHATTOPADHYAYA
Literature Reference Citation J.AM.CHEM.SOC.,126,11484(2004)
Literature Reference DOI 10.1021/ja048417i
Molecular Weight 681.674 g/mol
Solvent CDCl3
Source File Reference UWVN31639