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BIS-[3-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-MERCAPTOACETYL-AMINE
SpectraBase Compound ID CGUwvKXPk4c
InChI InChI=1S/C40H59N3O21S3/c1-20(44)55-15-28-33(57-22(3)46)35(59-24(5)48)37(61-26(7)50)39(63-28)66-18-30(52)41-11-9-13-43(32(54)17-65)14-10-12-42-31(53)19-67-40-38(62-27(8)51)36(60-25(6)49)34(58-23(4)47)29(64-40)16-56-21(2)45/h28-29,33-40,65H,9-19H2,1-8H3,(H,41,52)(H,42,53)/t28-,29-,33-,34-,35+,36+,37+,38+,39-,40-/m1/s1
InChIKey ZSGXVVMHMHWXAI-FKAGXAPMSA-N
Mol Weight 1014.1 g/mol
Molecular Formula C40H59N3O21S3
Exact Mass 1013.280319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDmASprgJiU
Name BIS-[3-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-MERCAPTOACETYL-AMINE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H59N3O21S3
InChI InChI=1S/C40H59N3O21S3/c1-20(44)55-15-28-33(57-22(3)46)35(59-24(5)48)37(61-26(7)50)39(63-28)66-18-30(52)41-11-9-13-43(32(54)17-65)14-10-12-42-31(53)19-67-40-38(62-27(8)51)36(60-25(6)49)34(58-23(4)47)29(64-40)16-56-21(2)45/h28-29,33-40,65H,9-19H2,1-8H3,(H,41,52)(H,42,53)/t28-,29-,33-,34-,35+,36+,37+,38+,39-,40-/m1/s1
InChIKey ZSGXVVMHMHWXAI-FKAGXAPMSA-N
Literature Reference Author F.ORTEGA-CABALLERO,J.J.GIMENEZ-MARTINEZ,L.GARCIA-FUENTES,E.O RTIZ-SALMERON,F.SANT
Literature Reference Citation J.ORG.CHEM.,66,7786(2001)
Literature Reference DOI 10.1021/jo015875q
Molecular Weight 1014.096 g/mol
Solvent DMSO-D6
Source File Reference UWVN25962