Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H36O2/c1-25-14-12-20(27)16-19(25)8-9-21-22-10-11-24(26(22,2)15-13-23(21)25)28-17-18-6-4-3-5-7-18/h3-7,19,21-24H,8-17H2,1-2H3/t19-,21-,22-,23-,24-,25-,26-/m0/s1
SMILES O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OCc1ccccc1)C)C
InChI Key IDDURDFWKHGJOW-GBUUIWMSSA-N
Molecular Formula C26H36O2
Exact Mass 380.563 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDDURDFWKHGJOW-GBUUIWMSSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IDDURDFWKHGJOW-GBUUIWMSSA-N/CHMO0000593
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-phenylmethoxy-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000013408923 ZINC
    J649.059J Nikkaji
    11825077 PubChem
    16941706 PubChem: Thomson Pharma
    SCHEMBL15274186 SureChEMBL
    The data in this table is sourced from UniChem at EBI.