Monocrotaline

2D Structure
MF: C16H23NO6
MW: 325.36 g/mol
IUPAC Name: (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Calculated IR and Raman Spectra of Monocrotaline Calculated IR and Raman Spectra of Monocrotaline Calculated IR and Raman Spectra of Monocrotaline Calculated IR and Raman Spectra of Monocrotaline Calculated IR and Raman Spectra of Monocrotaline Calculated IR and Raman Spectra of Monocrotaline

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 9415, Monocrotaline. https://pubchem.ncbi.nlm.nih.gov/compound/Monocrotaline. Accessed Apr. 18, 2022.