Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C25H33FO/c1-24-12-10-19(27)15-17(24)6-7-20-22-9-8-21(16-4-3-5-18(26)14-16)25(22,2)13-11-23(20)24/h3-5,8,14,17,19-20,22-23,27H,6-7,9-13,15H2,1-2H3/t17-,19-,20-,22-,23-,24-,25+/m0/s1
SMILES O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1cccc(c1)F)C)C
InChI Key LNTJLDWWEWFUKW-ZVQSXTIDSA-N
Molecular Formula C25H33FO
Exact Mass 368.527 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNTJLDWWEWFUKW-ZVQSXTIDSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/LNTJLDWWEWFUKW-ZVQSXTIDSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-10-28
Related Molecule
  • (3S,5S,8R,9S,10S,13S,14S)-17-(3-fluorophenyl)-10,13-dimethyl-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
    139291491 PubChem
    The data in this table is sourced from UniChem at EBI.