Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C26H36O/c1-25-16-7-6-10-20(25)11-12-21-22-13-14-24(26(22,2)17-15-23(21)25)27-18-19-8-4-3-5-9-19/h3-9,20-24H,10-18H2,1-2H3/t20-,21?,22+,23+,24+,25+,26+/m1/s1
SMILES C[C@@]12CC[C@H]3C([C@@H]2CC[C@@H]1OCc1ccccc1)CC[C@@H]1[C@]3(C)CC=CC1
InChI Key ZSXQKJCUWHUJJR-CDWCCWLVSA-N
Molecular Formula C26H36O
Exact Mass 364.563 g/mol

Data and Resources

Metadata Information

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