Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C28H38O4/c1-18(29)32-25-16-28(3)20(15-24(25)30)9-10-21-22-11-12-26(27(22,2)14-13-23(21)28)31-17-19-7-5-4-6-8-19/h4-8,20-23,25-26H,9-17H2,1-3H3/t20-,21-,22-,23-,25-,26-,27-,28-/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]2OCc1ccccc1)C
InChI Key RUTFIUMIIJWKMA-AMFGRPEHSA-N
Molecular Formula C28H38O4
Exact Mass 438.599 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RUTFIUMIIJWKMA-AMFGRPEHSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/RUTFIUMIIJWKMA-AMFGRPEHSA-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)-10,13-dimethyl-3-oxo-17-phenylmethoxy-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453506 PubChem
    The data in this table is sourced from UniChem at EBI.