Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C27H26N2O5/c1-16-24(28-26(31)34-15-17-9-5-4-6-10-17)23-21(13-18(32-2)14-22(23)33-3)27(16)20-12-8-7-11-19(20)25(30)29-27/h4-14,16,24H,15H2,1-3H3,(H,28,31)(H,29,30)/t16-,24-,27+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)OCc1ccccc1)C
InChI Key GKGLZZUSNNEKSZ-JCDPWUBBSA-N
Molecular Formula C27H26N2O5
Exact Mass 458.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GKGLZZUSNNEKSZ-JCDPWUBBSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GKGLZZUSNNEKSZ-JCDPWUBBSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • benzyl N-[(1R,2R,3R)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]carbamate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452724 PubChem
    The data in this table is sourced from UniChem at EBI.