Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H37IO6/c1-14(27)30-13-25-12-21(26)22(31-15(2)28)11-17(25)5-6-18-19-7-8-23(32-16(3)29)24(19,4)10-9-20(18)25/h17-23H,5-13H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,25+/m0/s1
SMILES CC(=O)OC[C@]12C[C@@H](I)[C@@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)OC(=O)C
InChI Key UCFKJDPJUDVAMP-PTZLLNSNSA-N
Molecular Formula C25H37IO6
Exact Mass 560.462 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UCFKJDPJUDVAMP-PTZLLNSNSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UCFKJDPJUDVAMP-PTZLLNSNSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(2R,3R,5S,8R,9S,10R,13S,14S,17S)-3,17-diacetyloxy-2-iodo-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646771 pubchem
    The data in this table is sourced from UniChem at EBI.