Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C26H36O3/c1-24-13-10-20(29-17-18-6-4-3-5-7-18)16-19(24)8-9-22-21(24)11-14-25(2)23(27)12-15-26(22,25)28/h3-7,19-22,28H,8-17H2,1-2H3/t19-,20-,21-,22+,24-,25+,26-/m0/s1
SMILES O=C1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OCc1ccccc1)O
InChI Key RWAJZRJQGGJQFL-SIGVLJBRSA-N
Molecular Formula C26H36O3
Exact Mass 396.562 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RWAJZRJQGGJQFL-SIGVLJBRSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/RWAJZRJQGGJQFL-SIGVLJBRSA-N/CHMO0000498
Version
Author Sarah Al Muthafer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-10-11
Related Molecule
  • (3S,5S,8R,9S,10S,13S,14S)-14-hydroxy-10,13-dimethyl-3-phenylmethoxy-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165369097 PubChem
    The data in this table is sourced from UniChem at EBI.