Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C22H30O3/c1-3-18(24)17-7-6-16-15-5-4-13-10-14(23)8-9-21(13,2)20(15)19-11-22(16,17)12-25-19/h10,15-17,19-20H,3-9,11-12H2,1-2H3/t15-,16-,17+,19-,20+,21-,22+/m0/s1
SMILES CCC(=O)[C@H]1CC[C@@H]2[C@]31CO[C@@H](C3)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
InChI Key GXJAVNYNUXSFHD-KMRSQDGUSA-N
Molecular Formula C22H30O3
Exact Mass 342.472 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GXJAVNYNUXSFHD-KMRSQDGUSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GXJAVNYNUXSFHD-KMRSQDGUSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • (1R,2S,5S,6S,14R,15S,16S)-14-methyl-2-propanoyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.