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CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-D-LEUCINYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-D-LEU-BVDUMP
SpectraBase Compound ID AttIU8P0Zpj
InChI InChI=1S/2C25H31BrN3O9P/c2*1-14(2)9-18(27)24(31)37-19-10-21(29-11-16(7-8-26)23(30)28-25(29)32)36-20(19)13-35-39(33)34-12-17-6-4-5-15(3)22(17)38-39/h2*4-8,11,14,18-21H,9-10,12-13,27H2,1-3H3,(H,28,30,32)/b2*8-7+/t2*18-,19-,20+,21+,39?/m11/s1
InChIKey QWWUBMYIWYYVTE-CGQFFDJDSA-N
Mol Weight 1256.83 g/mol
Molecular Formula C50H62Br2N6O18P2
Exact Mass 1254.196259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhzFjMxEfdg
Name CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-D-LEUCINYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-D-LEU-BVDUMP
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H62Br2N6O18P2
InChI InChI=1S/2C25H31BrN3O9P/c2*1-14(2)9-18(27)24(31)37-19-10-21(29-11-16(7-8-26)23(30)28-25(29)32)36-20(19)13-35-39(33)34-12-17-6-4-5-15(3)22(17)38-39/h2*4-8,11,14,18-21H,9-10,12-13,27H2,1-3H3,(H,28,30,32)/b2*8-7+/t2*18-,19-,20+,21+,39?/m11/s1
InChIKey QWWUBMYIWYYVTE-CGQFFDJDSA-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 1256.827 g/mol
Sample ID 65656
Solvent DMSO-D6