Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C28H38O4/c1-18(29)32-24-14-20-8-9-21-22-10-11-26(30-16-19-6-4-3-5-7-19)27(22,2)13-12-23(21)28(20)15-25(24)31-17-28/h3-7,20-26H,8-17H2,1-2H3/t20-,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1
SMILES CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]42C[C@@H]1OC4)CC[C@]1([C@H]3CC[C@@H]1OCc1ccccc1)C
InChI Key UILHXPYPCLMXAL-QVJUQYADSA-N
Molecular Formula C28H38O4
Exact Mass 438.599 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UILHXPYPCLMXAL-QVJUQYADSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/UILHXPYPCLMXAL-QVJUQYADSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(1R,2S,5S,6S,9S,10R,13S,15R,16S)-5-methyl-6-phenylmethoxy-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-yl] acetate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.