Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C24H38O3/c1-15(25)27-17-10-12-23(4)16(14-17)6-7-18-19-8-9-21(22(2,3)26)24(19,5)13-11-20(18)23/h6,17-21,26H,7-14H2,1-5H3/t17-,18-,19-,20-,21+,23-,24-/m0/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(O)(C)C)C)C1)C
InChI Key DVYYYOWBWZVRTJ-OHOJESAGSA-N
Molecular Formula C24H38O3
Exact Mass 374.557 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DVYYYOWBWZVRTJ-OHOJESAGSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DVYYYOWBWZVRTJ-OHOJESAGSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • [(3S,8S,9S,10R,13S,14S,17S)-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-yl] acetate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    21723293 PubChem
    The data in this table is sourced from UniChem at EBI.