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

*Links on SpectraBase are not permalinks.
PHENYL-O-(BETA-D-GALACTOPYRANOSYL)-(1->4)-2-DEOXY-1-THIO-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID K0zhpQIBXYx
InChI InChI=1S/C21H28Cl3NO11S/c22-21(23,24)8-33-20(32)25-12-14(29)17(36-18-16(31)15(30)13(28)10(6-26)34-18)11(7-27)35-19(12)37-9-4-2-1-3-5-9/h1-5,10-19,26-31H,6-8H2,(H,25,32)/t10-,11-,12-,13+,14-,15+,16-,17-,18+,19+/m1/s1
InChIKey QBPMOHYIRRZEBM-CPIZOFMKSA-N
Mol Weight 608.87 g/mol
Molecular Formula C21H28Cl3NO11S
Exact Mass 607.044865 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 4GIRo1T5WqU
Name PHENYL-O-(BETA-D-GALACTOPYRANOSYL)-(1->4)-2-DEOXY-1-THIO-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOSIDE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28Cl3NO11S
InChI InChI=1S/C21H28Cl3NO11S/c22-21(23,24)8-33-20(32)25-12-14(29)17(36-18-16(31)15(30)13(28)10(6-26)34-18)11(7-27)35-19(12)37-9-4-2-1-3-5-9/h1-5,10-19,26-31H,6-8H2,(H,25,32)/t10-,11-,12-,13+,14-,15+,16-,17-,18+,19+/m1/s1
InChIKey QBPMOHYIRRZEBM-CPIZOFMKSA-N
Literature Reference Author F.YAN,S.MEHTA,E.EICHLER,W.W.WAKARCHUK,M.GILBERT,M.J.SCHUR,D. M.WHITFIELD
Literature Reference Citation J.ORG.CHEM.,68,2426(2003)
Literature Reference DOI 10.1021/jo026569v
Molecular Weight 608.872 g/mol
Solvent CD3OD
Source File Reference UWVN25257