Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C30H29NO7/c1-2-35-28(33)30(38-27(32)22-13-7-4-8-14-22)17-9-15-24-23(30)19-25(26-16-10-18-36-26)31(24)29(34)37-20-21-11-5-3-6-12-21/h3-16,18,23-25H,2,17,19-20H2,1H3/t23-,24-,25-,30?/m0/s1
SMILES CCOC(=O)C1(CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1)OC(=O)c1ccccc1
InChI Key CGUNOOUGHJORRL-GKJNDNOASA-N
Molecular Formula C30H29NO7
Exact Mass 515.554 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CGUNOOUGHJORRL-GKJNDNOASA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/CGUNOOUGHJORRL-GKJNDNOASA-N/NMR/13C/CDCl3/100
Version
Author Paul Sauter
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-O-benzyl 4-O-ethyl (2S,3aS,7aS)-4-benzoyloxy-2-(furan-2-yl)-3,3a,5,7a-tetrahydro-2H-indole-1,4-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427515 pubchem
    The data in this table is sourced from UniChem at EBI.