For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
BIS-[3-(2,3,4,6-TETRA-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-MERCAPTOACETYL-AMINE
SpectraBase Compound ID BYaBm3sXgHQ
InChI InChI=1S/C36H55N3O17S3/c1-18-29(51-20(3)40)31(53-22(5)42)33(55-24(7)44)35(49-18)58-16-26(46)37-11-9-13-39(28(48)15-57)14-10-12-38-27(47)17-59-36-34(56-25(8)45)32(54-23(6)43)30(19(2)50-36)52-21(4)41/h18-19,29-36,57H,9-17H2,1-8H3,(H,37,46)(H,38,47)/t18-,19-,29-,30-,31+,32+,33+,34+,35-,36-/m0/s1
InChIKey CDPLROXMKIPAOK-PRKWMPORSA-N
Mol Weight 898.0 g/mol
Molecular Formula C36H55N3O17S3
Exact Mass 897.269361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KCj5ZHoVTiT
Name BIS-[3-(2,3,4,6-TETRA-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-MERCAPTOACETYL-AMINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H55N3O17S3
InChI InChI=1S/C36H55N3O17S3/c1-18-29(51-20(3)40)31(53-22(5)42)33(55-24(7)44)35(49-18)58-16-26(46)37-11-9-13-39(28(48)15-57)14-10-12-38-27(47)17-59-36-34(56-25(8)45)32(54-23(6)43)30(19(2)50-36)52-21(4)41/h18-19,29-36,57H,9-17H2,1-8H3,(H,37,46)(H,38,47)/t18-,19-,29-,30-,31+,32+,33+,34+,35-,36-/m0/s1
InChIKey CDPLROXMKIPAOK-PRKWMPORSA-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 898.023 g/mol
Solvent DMSO-D6
Source File Reference UWVN25963