Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C24H32O3/c1-23-11-9-17(25)13-16(23)4-5-18-20-7-6-19(15-3-8-22(26)27-14-15)24(20,2)12-10-21(18)23/h3,6,8,14,16-18,20-21,25H,4-5,7,9-13H2,1-2H3/t16-,17-,18-,20-,21-,23-,24+/m0/s1
SMILES O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1ccc(=O)oc1)C)C
InChI Key LVDVDCVNBXQDHR-RYCSRDMISA-N
Molecular Formula C24H32O3
Exact Mass 368.509 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LVDVDCVNBXQDHR-RYCSRDMISA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LVDVDCVNBXQDHR-RYCSRDMISA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-[(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453476 PubChem
    The data in this table is sourced from UniChem at EBI.