Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C23H36O5/c1-13(24)27-20-11-15-5-6-16-17-7-8-21(28-14(2)25)22(17,3)10-9-18(16)23(15,4)12-19(20)26/h15-21,26H,5-12H2,1-4H3/t15-,16-,17-,18-,19-,20+,21-,22-,23-/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]3CC[C@@H]1OC(=O)C)C
InChI Key NZNZUCXIAATUJS-ARIGVEOTSA-N
Molecular Formula C23H36O5
Exact Mass 392.529 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NZNZUCXIAATUJS-ARIGVEOTSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/NZNZUCXIAATUJS-ARIGVEOTSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(2S,3R,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646769 pubchem
    The data in this table is sourced from UniChem at EBI.