Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H30Cl3NO9/c1-4-12-35-23-20(29-24(33)25(26,27)28)22(38-19(32)11-10-15(2)30)21(36-16(3)31)18(37-23)14-34-13-17-8-6-5-7-9-17/h4-9,18,20-23H,1,10-14H2,2-3H3,(H,29,33)/t18-,20-,21-,22-,23-/m1/s1
SMILES C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)C)OC(=O)C
InChI Key SJXPPFSITHCICG-OKKOYFSCSA-N
Molecular Formula C25H30Cl3NO9
Exact Mass 594.866 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJXPPFSITHCICG-OKKOYFSCSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/SJXPPFSITHCICG-OKKOYFSCSA-N/NMR/1H/CDCl3/400
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(2R,3S,4R,5R,6R)-3-acetyloxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl] 4-oxopentanoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427297 PubChem
    The data in this table is sourced from UniChem at EBI.