Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C23H34O5/c1-13(24)27-20-12-23(4)15(11-19(20)26)5-6-16-17-7-8-21(28-14(2)25)22(17,3)10-9-18(16)23/h15-18,20-21H,5-12H2,1-4H3/t15-,16-,17-,18-,20-,21-,22-,23-/m0/s1
SMILES CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C
InChI Key HWAOMBULLIBDHL-PRJJBSRESA-N
Molecular Formula C23H34O5
Exact Mass 390.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HWAOMBULLIBDHL-PRJJBSRESA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HWAOMBULLIBDHL-PRJJBSRESA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(2S,5S,8R,9S,10S,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15425556 PubChem: Thomson Pharma
    10408082 PubChem
    The data in this table is sourced from UniChem at EBI.