Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key JCKOUAWEMPKIAT-OBKDMQGPSA-N
Molecular Formula C20H24O9S
Exact Mass 440.464 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JCKOUAWEMPKIAT-OBKDMQGPSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/JCKOUAWEMPKIAT-OBKDMQGPSA-N/NMR/1H/CDCl3/300
Version
Author Marco Mende
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1029421 surechembl
    6364823 pubchem
    KOGNIF CCDC
    Molport-002-915-482 molport
    The data in this table is sourced from UniChem at EBI.