Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H34O4/c1-19-12-18(23)17(22)11-13(19)3-4-14-15(19)5-7-20(2)16(14)6-8-21(20)24-9-10-25-21/h13-18,22-23H,3-12H2,1-2H3/t13-,14?,15-,16-,17+,18-,19-,20-/m0/s1
SMILES O[C@H]1C[C@@]2(C)[C@H](C[C@H]1O)CCC1[C@@H]2CC[C@]2([C@H]1CCC12OCCO1)C
InChI Key UHJOUKYFWVJRED-FOHMNMEQSA-N
Molecular Formula C21H34O4
Exact Mass 350.492 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UHJOUKYFWVJRED-FOHMNMEQSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/UHJOUKYFWVJRED-FOHMNMEQSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • (2S,3R,5S,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-2,3-diol
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.