Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C21H28O9/c1-5-10-27-21-20(29-14(3)23)19(28-13(2)22)18(24)17(30-21)12-26-11-15-6-8-16(25-4)9-7-15/h5-9,17-21,24H,1,10-12H2,2-4H3/t17-,18-,19+,20-,21-/m1/s1
SMILES C=CCO[C@@H]1O[C@H](COCc2ccc(cc2)OC)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O
InChI Key QXNLBKUWOKYEKM-YMQHIKHWSA-N
Molecular Formula C21H28O9
Exact Mass 424.442 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXNLBKUWOKYEKM-YMQHIKHWSA-N/NMR/HHCOSY/CDCl3
License URL
Source https://www.chemotion-repository.net/inchikey/QXNLBKUWOKYEKM-YMQHIKHWSA-N/NMR/HHCOSY/CDCl3
Version
Author Marco Mende
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(2R,3R,4S,5R,6R)-5-acetyloxy-3-hydroxy-2-[(4-methoxyphenyl)methoxymethyl]-6-prop-2-enoxyoxan-4-yl] acetate
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427500 PubChem
    The data in this table is sourced from UniChem at EBI.