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1-deoxy-1-[4-(beta-D-glucosyloxy)phenylsulfinyl]-beta-D-glucopyranose

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

1-deoxy-1-[4-(beta-D-glucosyloxy)phenylsulfinyl]-beta-D-glucopyranose
SpectraBase Compound ID 9VmVMOSAtuK
InChI InChI=1S/C18H26O12S/c19-5-9-11(21)13(23)15(25)17(29-9)28-7-1-3-8(4-2-7)31(27)18-16(26)14(24)12(22)10(6-20)30-18/h1-4,9-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18+,31?/m1/s1
InChIKey GPXOQRKTBFZJRW-NJFAUOHNSA-N
Mol Weight 466.45 g/mol
Molecular Formula C18H26O12S
Exact Mass 466.114497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PgNggKxNqj
Name 1-Deoxy-1-[4-(beta-D-glucosyloxy)phenylsulfinyl]-beta-D-glucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.114497439 u
Formula C18H26O12S
InChI InChI=1S/C18H26O12S/c19-5-9-11(21)13(23)15(25)17(29-9)28-7-1-3-8(4-2-7)31(27)18-16(26)14(24)12(22)10(6-20)30-18/h1-4,9-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18+,31?/m1/s1
InChIKey GPXOQRKTBFZJRW-NJFAUOHNSA-N
Molecular Weight 466.454 g/mol
SMILES OC[C@@]1([C@]([C@@]([C@]([C@](OC=2C=CC(S([C@@]3(O[C@@]([C@]([C@@]([C@]3(O)[H])(O)[H])(O)[H])(CO)[H])[H])=O)=CC2)(O1)[H])(O)[H])(O)[H])(O)[H])[H]