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

*Links on SpectraBase are not permalinks.

1-deoxy-1-[(p-hydroxyphenyl)sulfinyl]-beta-D-glucopyranose, pentaacetate

View entire compound with spectra: 2 NMR, and 1 FTIR

1-deoxy-1-[(p-hydroxyphenyl)sulfinyl]-beta-D-glucopyranose, pentaacetate
SpectraBase Compound ID 6CvyNjfMqO8
InChI InChI=1S/C22H26O12S/c1-11(23)29-10-18-19(31-13(3)25)20(32-14(4)26)21(33-15(5)27)22(34-18)35(28)17-8-6-16(7-9-17)30-12(2)24/h6-9,18-22H,10H2,1-5H3/t18-,19-,20+,21-,22+,35?/m1/s1
InChIKey WSSRTNOOBOYCRQ-WLLDIQDESA-N
Mol Weight 514.5 g/mol
Molecular Formula C22H26O12S
Exact Mass 514.114497 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 GMXeA6qbC9v
Name 1-Deoxy-1-[(p-hydroxyphenyl)sulfinyl]-beta-D-glucopyranose, pentaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.114497439 u
Formula C22H26O12S
InChI InChI=1S/C22H26O12S/c1-11(23)29-10-18-19(31-13(3)25)20(32-14(4)26)21(33-15(5)27)22(34-18)35(28)17-8-6-16(7-9-17)30-12(2)24/h6-9,18-22H,10H2,1-5H3/t18-,19-,20+,21-,22+,35?/m1/s1
InChIKey WSSRTNOOBOYCRQ-WLLDIQDESA-N
Molecular Weight 514.498 g/mol
SMILES [C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H])(S(C=1C=CC(=CC1)OC(C)=O)=O)[H]