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METHYL_(METHYL_5-ACETAMIDO-4-C-CHLOROMETHYL-3,5-DIDEOXY-8,9-O-ISOPROPYLIDENE-BETA-D-GLYCERO-D-TALO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID AwZ3H456inr
InChI InChI=1S/C17H28ClNO9/c1-9(20)19-13-12(11(21)10-6-26-15(2,3)27-10)28-17(25-5,14(22)24-4)7-16(13,23)8-18/h10-13,21,23H,6-8H2,1-5H3,(H,19,20)/t10-,11+,12-,13-,16-,17-/m1/s1
InChIKey KPTQPIMSXRLBPG-CKWDUUQCSA-N
Mol Weight 425.86 g/mol
Molecular Formula C17H28ClNO9
Exact Mass 425.145259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1X44XZ4gD66
Name METHYL_(METHYL_5-ACETAMIDO-4-C-CHLOROMETHYL-3,5-DIDEOXY-8,9-O-ISOPROPYLIDENE-BETA-D-GLYCERO-D-TALO-2-NONULOPYRANOSID)-ONATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28ClNO9
InChI InChI=1S/C17H28ClNO9/c1-9(20)19-13-12(11(21)10-6-26-15(2,3)27-10)28-17(25-5,14(22)24-4)7-16(13,23)8-18/h10-13,21,23H,6-8H2,1-5H3,(H,19,20)/t10-,11+,12-,13-,16-,17-/m1/s1
InChIKey KPTQPIMSXRLBPG-CKWDUUQCSA-N
Literature Reference Author D.R.GROVES,M.VONITZSTEIN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2817(1996)
Literature Reference DOI 10.1039/p19960002817
Molecular Weight 425.864 g/mol
Solvent CDCl3
Source File Reference UWMZ3179