85283-31-4Relevant articles and documents
Perhydroazulenes. 4. The 6-tert-Butyl-4-oxoperhydroazulene System
House, Herbert O.,Gaa, Peter, C.,Lee, Joseph H. C.,VanDerveer, Don
, p. 1670 - 1678 (2007/10/02)
The four diastereoisomeric 6-tert-butyl-4-oxoperhydroazulenes (3-6) have been prepared and characterized.Molecular mechanics calculations suggest that each of these ketones will exist as one or both of a pair of closely related conformers as follows: 3, C-3 or TC-7; 4, TC-1 or TC-2; 5, B-3 or TB-4; 6, TC-4 or TC-5.A combination of 1H NMR data and X-ray crystallographic data support the correctness of these predictions.