Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C26H38O3/c1-25-13-12-21-19(9-8-18-14-22(27)23(28)15-26(18,21)2)20(25)10-11-24(25)29-16-17-6-4-3-5-7-17/h3-7,18-24,27-28H,8-16H2,1-2H3/t18-,19?,20-,21-,22+,23-,24-,25-,26-/m0/s1
SMILES O[C@@H]1C[C@@H]2CCC3[C@@H]([C@]2(C[C@@H]1O)C)CC[C@]1([C@H]3CC[C@@H]1OCc1ccccc1)C
InChI Key YPHUNBCVIAQKHO-NAGWFJTDSA-N
Molecular Formula C26H38O3
Exact Mass 398.578 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YPHUNBCVIAQKHO-NAGWFJTDSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YPHUNBCVIAQKHO-NAGWFJTDSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • (2S,3R,5S,9S,10S,13S,14S,17S)-10,13-dimethyl-17-phenylmethoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.