Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H32O2/c1-19-10-4-3-5-15(19)6-7-16-17(19)8-11-20(2)18(16)9-12-21(20)22-13-14-23-21/h3-4,15-18H,5-14H2,1-2H3/t15-,16?,17+,18+,19+,20+/m1/s1
SMILES C[C@]12CC=CC[C@@H]1CCC1[C@@H]2CC[C@]2([C@H]1CCC12OCCO1)C
InChI Key LPIHDSBQLYQECR-NZUOKWLQSA-N
Molecular Formula C21H32O2
Exact Mass 316.478 g/mol

Data and Resources

Metadata Information

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