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(2R,3R,11R,12R)-N,N,N',N',N'',N'',N''',N'''-OCTAMETHYL-1,4,10,13-TETRAOXA-7,16-DITOSYLAZACYCLOOCTADECANE-2,3,11,12-TETRACARBOXAMIDE

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(2R,3R,11R,12R)-N,N,N',N',N'',N'',N''',N'''-OCTAMETHYL-1,4,10,13-TETRAOXA-7,16-DITOSYLAZACYCLOOCTADECANE-2,3,11,12-TETRACARBOXAMIDE
SpectraBase Compound ID 5uziXycoGaq
InChI InChI=1S/C38H58N6O12S2/c1-27-11-15-29(16-12-27)57(49,50)43-19-23-53-31(35(45)39(3)4)33(37(47)41(7)8)55-25-21-44(58(51,52)30-17-13-28(2)14-18-30)22-26-56-34(38(48)42(9)10)32(54-24-20-43)36(46)40(5)6/h11-18,31-34H,19-26H2,1-10H3/t31-,32-,33-,34-/m1/s1
InChIKey HDJWBZKJGXPOQM-YFRBGRBWSA-N
Mol Weight 855.0 g/mol
Molecular Formula C38H58N6O12S2
Exact Mass 854.355414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YFpUqzLKnH
Name (2R,3R,11R,12R)-N,N,N',N',N'',N'',N''',N'''-OCTAMETHYL-1,4,10,13-TETRAOXA-7,16-DITOSYLAZACYCLOOCTADECANE-2,3,11,12-TETRACARBOXAMIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H58N6O12S2
InChI InChI=1S/C38H58N6O12S2/c1-27-11-15-29(16-12-27)57(49,50)43-19-23-53-31(35(45)39(3)4)33(37(47)41(7)8)55-25-21-44(58(51,52)30-17-13-28(2)14-18-30)22-26-56-34(38(48)42(9)10)32(54-24-20-43)36(46)40(5)6/h11-18,31-34H,19-26H2,1-10H3/t31-,32-,33-,34-/m1/s1
InChIKey HDJWBZKJGXPOQM-YFRBGRBWSA-N
Literature Reference Author A.ANANTANARZAN,T.M.FZLES
Literature Reference Citation CAN.J.CHEM.,68,1338(1990)
Literature Reference DOI 10.1139/v90-206
Molecular Weight 855.032 g/mol
Solvent Unknown
Source File Reference UWCS12330