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

*Links on SpectraBase are not permalinks.

.alpha.-dl-Lyxo-hexopyranoside, hexyl 6-(acetylamino)-4,6-dideoxy-1-thio-, 3-acetate 2-benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

.alpha.-dl-Lyxo-hexopyranoside, hexyl 6-(acetylamino)-4,6-dideoxy-1-thio-, 3-acetate 2-benzoate
SpectraBase Compound ID 44AYnh9WowA
InChI InChI=1S/C23H33NO6S/c1-4-5-6-10-13-31-23-21(30-22(27)18-11-8-7-9-12-18)20(28-17(3)26)14-19(29-23)15-24-16(2)25/h7-9,11-12,19-21,23H,4-6,10,13-15H2,1-3H3,(H,24,25)
InChIKey WVBZQXIBLRRQIR-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C23H33NO6S
Exact Mass 451.202859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID IOeMVtjSyhA
Name .alpha.-dl-Lyxo-hexopyranoside, hexyl 6-(acetylamino)-4,6-dideoxy-1-thio-, 3-acetate 2-benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.202858955 u
Formula C23H33NO6S
InChI InChI=1S/C23H33NO6S/c1-4-5-6-10-13-31-23-21(30-22(27)18-11-8-7-9-12-18)20(28-17(3)26)14-19(29-23)15-24-16(2)25/h7-9,11-12,19-21,23H,4-6,10,13-15H2,1-3H3,(H,24,25)
InChIKey WVBZQXIBLRRQIR-UHFFFAOYSA-N
Molecular Weight 451.578 g/mol
SMILES C1=CC=CC=C1C(=O)OC1C(SCCCCCC)OC(CC1OC(=O)C)CNC(=O)C