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CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-L-ALANYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-L-ALA-BVDUMP
SpectraBase Compound ID 90sUXwkF4aT
InChI InChI=1S/2C22H25BrN3O9P/c2*1-12-4-3-5-15-10-31-36(30,35-19(12)15)32-11-17-16(34-21(28)13(2)24)8-18(33-17)26-9-14(6-7-23)20(27)25-22(26)29/h2*3-7,9,13,16-18H,8,10-11,24H2,1-2H3,(H,25,27,29)/b2*7-6+/t2*13-,16+,17-,18-,36?/m00/s1
InChIKey OYFJZXPCAXGPNL-DSXMSPQESA-N
Mol Weight 1172.66 g/mol
Molecular Formula C44H50Br2N6O18P2
Exact Mass 1170.102359 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KRkgrBdR1f
Name CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-L-ALANYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-L-ALA-BVDUMP
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50Br2N6O18P2
InChI InChI=1S/2C22H25BrN3O9P/c2*1-12-4-3-5-15-10-31-36(30,35-19(12)15)32-11-17-16(34-21(28)13(2)24)8-18(33-17)26-9-14(6-7-23)20(27)25-22(26)29/h2*3-7,9,13,16-18H,8,10-11,24H2,1-2H3,(H,25,27,29)/b2*7-6+/t2*13-,16+,17-,18-,36?/m00/s1
InChIKey OYFJZXPCAXGPNL-DSXMSPQESA-N
Literature Reference Author C.MEIER,A.LOMP,A.MEERBACH,P.WUTZLER
Literature Reference Citation J.MED.CHEM.,45,5157(2002)
Literature Reference DOI 10.1021/jm0209275
Solvent DMSO-D6
Source File Reference UWLU65651