Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C28H40O3/c1-19(29)31-22-13-15-27(2)21(17-22)9-10-23-24-11-12-26(28(24,3)16-14-25(23)27)30-18-20-7-5-4-6-8-20/h4-8,21-26H,9-18H2,1-3H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1
SMILES CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OCc1ccccc1)C)C
InChI Key UPKMIEDTMITRBU-VXBMVYAYSA-N
Molecular Formula C28H40O3
Exact Mass 424.615 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UPKMIEDTMITRBU-VXBMVYAYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UPKMIEDTMITRBU-VXBMVYAYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-phenylmethoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646790 pubchem
    The data in this table is sourced from UniChem at EBI.