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METHYL-3-DEOXY-4,5:6,7-DI-O-ISOPROPYLIDENE-2-O-PARA-TOLUEN-SULFONYL-D-GLUCO-HEPTONATE
SpectraBase Compound ID BBhABmboLNW
InChI InChI=1S/C21H30O9S/c1-13-7-9-14(10-8-13)31(23,24)30-16(19(22)25-6)11-15-18(29-21(4,5)27-15)17-12-26-20(2,3)28-17/h7-10,15-18H,11-12H2,1-6H3/t15-,16-,17-,18-/m1/s1
InChIKey LTRUQOOVCOGXLQ-BRSBDYLESA-N
Mol Weight 458.52 g/mol
Molecular Formula C21H30O9S
Exact Mass 458.161054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7O1xAFV8oe5
Name METHYL-3-DEOXY-4,5:6,7-DI-O-ISOPROPYLIDENE-2-O-PARA-TOLUEN-SULFONYL-D-GLUCO-HEPTONATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O9S
InChI InChI=1S/C21H30O9S/c1-13-7-9-14(10-8-13)31(23,24)30-16(19(22)25-6)11-15-18(29-21(4,5)27-15)17-12-26-20(2,3)28-17/h7-10,15-18H,11-12H2,1-6H3/t15-,16-,17-,18-/m1/s1
InChIKey LTRUQOOVCOGXLQ-BRSBDYLESA-N
Literature Reference Author M.J.SIMIRGIOTIS,J.VALLEJOS,C.ARECHE,B.SEPULVEDA
Literature Reference Citation MOLECULES,19,19516(2014)
Literature Reference DOI 10.3390/molecules191219516
Molecular Weight 458.524 g/mol
Solvent CDCl3
Source File Reference UWLU81588