Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C31H38O/c1-30-18-16-25(32)20-24(30)12-13-26-28-15-14-27(31(28,2)19-17-29(26)30)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,14,24-26,28-29,32H,12-13,15-20H2,1-2H3/t24-,25-,26-,28-,29-,30-,31+/m0/s1
SMILES O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1ccc(cc1)c1ccccc1)C)C
InChI Key LYUBVJORHPSOKN-BJFASDGLSA-N
Molecular Formula C31H38O
Exact Mass 426.633 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYUBVJORHPSOKN-BJFASDGLSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/LYUBVJORHPSOKN-BJFASDGLSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-10-28
Related Molecule
  • (3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(4-phenylphenyl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139291493 pubchem
    The data in this table is sourced from UniChem at EBI.