Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,20-,21-/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]1CCC2=O)C)C
InChI Key FDCINQSOYQUNKB-HGDYXINXSA-N
Molecular Formula C21H32O3
Exact Mass 332.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FDCINQSOYQUNKB-HGDYXINXSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FDCINQSOYQUNKB-HGDYXINXSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4632363 chembl
    1114494 surechembl
    908740 pubchem
    MT8537SW7X fdasrs
    The data in this table is sourced from UniChem at EBI.