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RZZUTFRCJKIEPS-JUFYEVBKSA-N

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RZZUTFRCJKIEPS-JUFYEVBKSA-N
SpectraBase Compound ID 3zhU7oDckED
InChI InChI=1S/C36H36N6O2S3.HI/c1-6-40-28-15-12-25(37-19-18-36-42(8-3)30-17-14-27(39-24(5)44)22-33(30)47-36)20-31(28)45-34(40)10-9-11-35-41(7-2)29-16-13-26(38-23(4)43)21-32(29)46-35;/h9-22H,6-8H2,1-5H3,(H-,38,39,43,44);1H/b36-18-,37-19+;
InChIKey RZZUTFRCJKIEPS-JUFYEVBKSA-N
Mol Weight 808.8 g/mol
Molecular Formula C36H37IN6O2S3
Exact Mass 808.118483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yqyKDUMQ5P
Name RZZUTFRCJKIEPS-JUFYEVBKSA-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H37IN6O2S3
InChI InChI=1S/C36H36N6O2S3.HI/c1-6-40-28-15-12-25(37-19-18-36-42(8-3)30-17-14-27(39-24(5)44)22-33(30)47-36)20-31(28)45-34(40)10-9-11-35-41(7-2)29-16-13-26(38-23(4)43)21-32(29)46-35;/h9-22H,6-8H2,1-5H3,(H-,38,39,43,44);1H/b36-18-,37-19+;
InChIKey RZZUTFRCJKIEPS-JUFYEVBKSA-N
Literature Reference Author N.KAILA,G.Y.XU,R.T.CAMPHAUSEN,Y.XIANG
Literature Reference Citation BIOORG.MED.CHEM.,9,801(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00298-4
Molecular Weight 808.813 g/mol
Solvent DMSO
Source File Reference UWLU21909