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ISOMER_1;1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYHRO-PENTOFURANOSYL]-4-{[(DIMETHYLAMINO)-METHYLIDENE]-AMINO}-3-IODO-1-H-PYRAZOLO
SpectraBase Compound ID ITlmb6K1cG1
InChI InChI=1S/C43H52IN8O6P/c1-29(2)52(30(3)4)59(56-24-12-23-45)58-36-25-38(51-42-39(40(44)49-51)41(46-27-47-42)48-28-50(5)6)57-37(36)26-55-43(31-13-10-9-11-14-31,32-15-19-34(53-7)20-16-32)33-17-21-35(54-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3/b48-28+/t36-,37+,38+,59?/m0/s1
InChIKey NAHYVCKNYRRNRC-MHUJKLTLSA-N
Mol Weight 934.8 g/mol
Molecular Formula C43H52IN8O6P
Exact Mass 934.279213 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lueb77I6yu
Name ISOMER_2;1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYHRO-PENTOFURANOSYL]-4-{[(DIMETHYLAMINO)-METHYLIDENE]-AMINO}-3-IODO-1-H-PYRAZOLO
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H52IN8O6P
InChI InChI=1S/C43H52IN8O6P/c1-29(2)52(30(3)4)59(56-24-12-23-45)58-36-25-38(51-42-39(40(44)49-51)41(46-27-47-42)48-28-50(5)6)57-37(36)26-55-43(31-13-10-9-11-14-31,32-15-19-34(53-7)20-16-32)33-17-21-35(54-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3/b48-28+/t36-,37+,38+,59?/m0/s1
InChIKey NAHYVCKNYRRNRC-MHUJKLTLSA-N
Literature Reference Author F.SEELA,M.ZULAUF
Literature Reference Citation J.CHEM.SOC.PERKIN-1,479(1999)
Literature Reference DOI 10.1039/a808769e
Solvent CDCl3
Source File Reference UWMZ11248