Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H32O4/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/h13-16,18,23H,3-12H2,1-2H3/t13-,14+,15-,16-,18+,19-,20-/m0/s1
SMILES O[C@@H]1C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC12OCCO1)C
InChI Key CBNZSYRHBGPRRY-ZUJGYIQBSA-N
Molecular Formula C21H32O4
Exact Mass 348.476 g/mol

Data and Resources

Metadata Information

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