Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C28H38O4/c1-18(29)31-28-15-20-9-10-21-22-11-12-24(30-17-19-7-5-4-6-8-19)26(22,2)14-13-23(21)27(20,3)16-25(28)32-28/h4-8,20-25H,9-17H2,1-3H3/t20-,21-,22-,23-,24-,25+,26-,27-,28-/m0/s1
SMILES CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O1)C)CC[C@]1([C@H]4CC[C@@H]1OCc1ccccc1)C
InChI Key JVSRWNLXEIOBKN-ZZJJTSTKSA-N
Molecular Formula C28H38O4
Exact Mass 438.599 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JVSRWNLXEIOBKN-ZZJJTSTKSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/JVSRWNLXEIOBKN-ZZJJTSTKSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(1S,2S,4R,6R,8S,11R,12S,15S,16S)-2,16-dimethyl-15-phenylmethoxy-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-6-yl] acetate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453464 PubChem
    The data in this table is sourced from UniChem at EBI.