Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h9,16,18-21H,5-8,10-13H2,1-4H3/t16-,18-,19-,20-,21-,22-,23-/m0/s1
SMILES CC(=O)OC1=CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)C
InChI Key IYRUIMPGYISENA-KHXQEATISA-N
Molecular Formula C23H34O4
Exact Mass 374.514 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IYRUIMPGYISENA-KHXQEATISA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/IYRUIMPGYISENA-KHXQEATISA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10022306 PubChem
    ZINC000034096501 ZINC
    15003735 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.