Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H32O4/c1-12(22)25-18-10-13-4-5-14-15-6-7-19(24)20(15,2)9-8-16(14)21(13,3)11-17(18)23/h13-18,23H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,18-,20-,21-/m0/s1
SMILES CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1O)C)CC[C@]1([C@H]3CCC1=O)C
InChI Key GWVTTYXYOFSWDE-IRCIQMEDSA-N
Molecular Formula C21H32O4
Exact Mass 348.476 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GWVTTYXYOFSWDE-IRCIQMEDSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GWVTTYXYOFSWDE-IRCIQMEDSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(2R,3S,5S,8R,9S,10S,13S,14S)-2-hydroxy-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 mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.