Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H36O2/c1-20(2,24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,3)18(16)10-12-22(17,19)4/h5,15-19,23-24H,6-13H2,1-4H3/t15-,16-,17-,18-,19?,21-,22-/m0/s1
SMILES O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2C(O)(C)C)C)C1)C
InChI Key HYQOIXCNKARMRI-CMGWBOTJSA-N
Molecular Formula C22H36O2
Exact Mass 332.520 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HYQOIXCNKARMRI-CMGWBOTJSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HYQOIXCNKARMRI-CMGWBOTJSA-N/CHMO0000593
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • (3S,8S,9S,10R,13S,14S)-17-(2-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.