Complete 1H and 13C assignments of fluorinated analogs of dehydroepiandrosterone.
The complete assignments of all 1H and 13C chemical shifts were made for the fluorinated dehydroepiandrosterone (DHEA) analog fluasterone, 2, and two potential in vivo metabolites 3 and 4. The assignments were made using a combination of one- and two-dimensional NMR techniques (1H, 13C, gDQCOSY, gHSQC, gHMBC). Once the proton chemical shifts were assigned, the stereochemistry of the two hydroxylated analogs was determined using 2D ROESY experiments.
Burgess
Jason P
JP
Science and Engineering Group, RTI International, Research Triangle Park NC 27709-2194, USA. jpb@rti.org
Wintermute
James S
JS
Thomas
Brian F
BF
Kapetanovic
Izet M
IM
D002247:Carbon Isotopes; D003687:Dehydroepiandrosterone / Q000031:analogs & derivatives* / Q000737:chemistry; D005461:Fluorine / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D011522:Protons
D002247:Carbon Isotopes; D011522:Protons; D005461:Fluorine; D003687:Dehydroepiandrosterone