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CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-3'-O-HEXANOYL-(2'-DEOXYURIDINYL)-PHOSPHATE;3-ME-CYCLO-SAL-3'-O-HEX-BVDUMP
SpectraBase Compound ID D19jJtPkYyn
InChI InChI=1S/2C25H30BrN2O9P/c2*1-3-4-5-9-22(29)36-19-12-21(28-13-17(10-11-26)24(30)27-25(28)31)35-20(19)15-34-38(32)33-14-18-8-6-7-16(2)23(18)37-38/h2*6-8,10-11,13,19-21H,3-5,9,12,14-15H2,1-2H3,(H,27,30,31)/b2*11-10+/t2*19-,20+,21+,38?/m11/s1
InChIKey DGWIZHGMUGNFKK-CSSQESGFSA-N
Mol Weight 1226.8 g/mol
Molecular Formula C50H60Br2N4O18P2
Exact Mass 1224.174461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29wdcesHNDC
Name CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-3'-O-HEXANOYL-(2'-DEOXYURIDINYL)-PHOSPHATE;3-ME-CYCLO-SAL-3'-O-HEX-BVDUMP
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H60Br2N4O18P2
InChI InChI=1S/2C25H30BrN2O9P/c2*1-3-4-5-9-22(29)36-19-12-21(28-13-17(10-11-26)24(30)27-25(28)31)35-20(19)15-34-38(32)33-14-18-8-6-7-16(2)23(18)37-38/h2*6-8,10-11,13,19-21H,3-5,9,12,14-15H2,1-2H3,(H,27,30,31)/b2*11-10+/t2*19-,20+,21+,38?/m11/s1
InChIKey DGWIZHGMUGNFKK-CSSQESGFSA-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
Molecular Weight 1226.798 g/mol
Sample ID 65647
Solvent CDCl3