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CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-3'-O-ACETYL-2'-(DEOXYURIDINYL)-PHOSPHATE;3-ME-CYCLO-SAL-3'-O-AC-BVDUMP

View entire compound with spectra: 2 NMR

CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-3'-O-ACETYL-2'-(DEOXYURIDINYL)-PHOSPHATE;3-ME-CYCLO-SAL-3'-O-AC-BVDUMP
SpectraBase Compound ID 7Fzgt6nOOGV
InChI InChI=1S/2C21H22BrN2O9P/c2*1-12-4-3-5-15-10-29-34(28,33-19(12)15)30-11-17-16(31-13(2)25)8-18(32-17)24-9-14(6-7-22)20(26)23-21(24)27/h2*3-7,9,16-18H,8,10-11H2,1-2H3,(H,23,26,27)/b2*7-6+/t2*16-,17+,18+,34?/m11/s1
InChIKey AQRIGGARCOBAFK-BBYYWLPXSA-N
Mol Weight 1114.58 g/mol
Molecular Formula C42H44Br2N4O18P2
Exact Mass 1112.049261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUsTgIpQrIB
Name CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-3'-O-ACETYL-2'-(DEOXYURIDINYL)-PHOSPHATE;3-ME-CYCLO-SAL-3'-O-AC-BVDUMP
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44Br2N4O18P2
InChI InChI=1S/2C21H22BrN2O9P/c2*1-12-4-3-5-15-10-29-34(28,33-19(12)15)30-11-17-16(31-13(2)25)8-18(32-17)24-9-14(6-7-22)20(26)23-21(24)27/h2*3-7,9,16-18H,8,10-11H2,1-2H3,(H,23,26,27)/b2*7-6+/t2*16-,17+,18+,34?/m11/s1
InChIKey AQRIGGARCOBAFK-BBYYWLPXSA-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 1114.583 g/mol
Sample ID 65643
Solvent DMSO-D6