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CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-L-ISOLEUCINYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-L-ILE-BVDUMP
SpectraBase Compound ID Fr6heHuUwk1
InChI InChI=1S/2C25H31BrN3O9P/c2*1-4-14(2)21(27)24(31)37-18-10-20(29-11-16(8-9-26)23(30)28-25(29)32)36-19(18)13-35-39(33)34-12-17-7-5-6-15(3)22(17)38-39/h2*5-9,11,14,18-21H,4,10,12-13,27H2,1-3H3,(H,28,30,32)/b2*9-8+/t2*14-,18+,19-,20-,21-,39?/m00/s1
InChIKey LLOZORAVUPKLHU-PTIVCLADSA-N
Mol Weight 1256.83 g/mol
Molecular Formula C50H62Br2N6O18P2
Exact Mass 1254.196259 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KJXT7IBvMi
Name CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-L-ISOLEUCINYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-L-ILE-BVDUMP
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H62Br2N6O18P2
InChI InChI=1S/2C25H31BrN3O9P/c2*1-4-14(2)21(27)24(31)37-18-10-20(29-11-16(8-9-26)23(30)28-25(29)32)36-19(18)13-35-39(33)34-12-17-7-5-6-15(3)22(17)38-39/h2*5-9,11,14,18-21H,4,10,12-13,27H2,1-3H3,(H,28,30,32)/b2*9-8+/t2*14-,18+,19-,20-,21-,39?/m00/s1
InChIKey LLOZORAVUPKLHU-PTIVCLADSA-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 UWLU65657