Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H26O10/c1-12(22)26-11-17-18(28-13(2)23)19(27-10-16-8-6-5-7-9-16)20(29-14(3)24)21(31-17)30-15(4)25/h5-9,17-21H,10-11H2,1-4H3/t17-,18-,19+,20-,21?/m1/s1
SMILES CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OCc1ccccc1)OC(=O)C
InChI Key SJPSXDYBIIGRQJ-AWGDKMGJSA-N
Molecular Formula C21H26O10
Exact Mass 438.425 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJPSXDYBIIGRQJ-AWGDKMGJSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/SJPSXDYBIIGRQJ-AWGDKMGJSA-N/NMR/1H/CDCl3/300
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(2R,3R,4S,5R)-3,5,6-triacetyloxy-4-phenylmethoxyoxan-2-yl]methyl acetate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    124389200 PubChem: Thomson Pharma
    13964977 PubChem
    SCHEMBL7572133 SureChEMBL
    The data in this table is sourced from UniChem at EBI.