Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17+,18-,19+,21-,22+,23-/m0/s1
SMILES O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C
InChI Key REJBTXQSIQFRRE-NQFMHKJYSA-N
Molecular Formula C23H32O4
Exact Mass 372.498 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/REJBTXQSIQFRRE-NQFMHKJYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/REJBTXQSIQFRRE-NQFMHKJYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-[(5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7286722 surechembl
    11875333 pubchem
    The data in this table is sourced from UniChem at EBI.