Pregnenolone

2D Structure
MF: C21H32O2
MW: 316.5 g/mol
IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Calculated IR and Raman Spectra of Pregnenolone Calculated IR and Raman Spectra of Pregnenolone Calculated IR and Raman Spectra of Pregnenolone Calculated IR and Raman Spectra of Pregnenolone Calculated IR and Raman Spectra of Pregnenolone Calculated IR and Raman Spectra of Pregnenolone

Calculation


Reference

[1] Alex A. Granovsky, Firefly version 8, www http://classic.chem.msu.su/gran/firefly/index.html
[2] M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.Su, T.L.Windus, M.Dupuis, J.A.Montgomery J.Comput.Chem. 14, 1347-1363 (1993)
[3] H.Yoshida, K.Takeda, J.Okayama, A.Ehara and H.Matsuura, J. Phys. Chem. A 106, 3580 (2002)
[4] National Center for Biotechnology Information. PubChem Compound Summary for CID 8955, Pregnenolone. https://pubchem.ncbi.nlm.nih.gov/compound/Pregnenolone. Accessed Apr. 18, 2022.