Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C26H34O11/c1-6-13-33-26-25(35-18(4)29)24(34-17(3)28)23(37-22(30)12-7-16(2)27)21(36-26)15-32-14-19-8-10-20(31-5)11-9-19/h6,8-11,21,23-26H,1,7,12-15H2,2-5H3/t21-,23-,24+,25-,26-/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)OC(=O)CCC(=O)C
InChI Key GQKJGJKLYRNJIU-XDXGNBCUSA-N
Molecular Formula C26H34O11
Exact Mass 522.542 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GQKJGJKLYRNJIU-XDXGNBCUSA-N/NMR/HHCOSY/CDCl3
License URL
Source https://www.chemotion-repository.net/inchikey/GQKJGJKLYRNJIU-XDXGNBCUSA-N/NMR/HHCOSY/CDCl3
Version
Author Marco Mende
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-[(4-methoxyphenyl)methoxymethyl]-6-prop-2-enoxyoxan-3-yl] 4-oxopentanoate
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427501 PubChem
    The data in this table is sourced from UniChem at EBI.