Structural and spectral assignment of a new diterpenoid isolated from Ballota undulata and a complete (1)H and (13)C NMR data assignment for three other structurally related compounds.
The structure of 3beta-hydroxyballotinone, a new labdane diterpenoid isolated from Ballota undulata, has been established by NMR spectroscopic studies. In addition, complete and unambiguous assignments of the (1)H and (13)C NMR spectra of three other already known labdanes (ballotinone, ballonigrin and ballonigrinone) isolated from the same source have been achieved. The assignments are based on 2D shift-correlated (1)H--(1)H COSY, (1)H--(13)C gHSQC [(1)J(C,H)] and (1)H--(13)C gHMBC [(n)J(C,H) (n = 2 and 3)], and NOE experiments.
Department of Chemistry of Medicinal Plants, National Research Centre, El-Tahrir St., Dokki, Cairo, Egypt.
Ahmed A
AA
Hussein
María L
ML
Jimeno
Benjamín
B
Rodríguez
D031329:Ballota / Q000737:chemistry*; D002247:Carbon Isotopes; D004224:Diterpenes / Q000737:chemistry* / Q000302:isolation & purification; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015394:Molecular Structure; D011522:Protons
D002247:Carbon Isotopes; D004224:Diterpenes; D011522:Protons