Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H33F3O/c1-24-13-11-19(30)15-18(24)7-8-20-22-10-9-21(25(22,2)14-12-23(20)24)16-3-5-17(6-4-16)26(27,28)29/h3-6,9,18-20,22-23,30H,7-8,10-15H2,1-2H3/t18-,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=C2c1ccc(cc1)C(F)(F)F)C)C
InChI Key WHFXIXLPUWGVBU-RVJJPSTCSA-N
Molecular Formula C26H33F3O
Exact Mass 418.535 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WHFXIXLPUWGVBU-RVJJPSTCSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/WHFXIXLPUWGVBU-RVJJPSTCSA-N/CHMO0000595
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-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139291492 PubChem
    The data in this table is sourced from UniChem at EBI.