Authors: |
Fred L. Tobiason, Frank R. Fronczek, Jan P. Steynberg, Elizabeth C. Steynberg, Richard W. Hemingway, Wayne L. Mattice |
Year: |
1993 |
Type: |
Scientific Journal |
Station: |
Southern Research Station |
Source: |
Tetrahedron 49(27):5927-5940 |
Abstract
Molecular modeling and molecular orbital analyses of ent-epifisetinidol gave &ood predictions of the approximate "reverse half-chair" conformation found for the crystal structure. MNDO and AM1 analyses of HOMO electron densities provided an explanation for the stereospecific electrophilic aromatic substitution at C(6) in 5-deoxy-flavans.
Citation
Tobiason, Fred L.; Fronczek, Frank R.; Steynberg, Jan P.; Steynberg, Elizabeth C.; Hemingway, Richard W.; Mattice, Wayne L. 1993. Crystal Structure, Conformational Analysis, and Charge Density Distribution for Eng-Epifisetinidol: An Explanation for Regiospecific Aromatic Substitution of 5-Deoxyflavan. Tetrahedron 49(27):5927-5940