Conformational analysis and rotation of (1R,2R,5S,8R,10R,13R,14R,19R)-16-cyano-1,2,14,18,18-pentamethyl-17-oxo-8-(3-oxoprop-1-en-2-yl)pentacyclo[11.8.0.0^2,10.0^5,9.0^14,19]henicos-15-ene-5-carboxylate

Methods of conformational anlysis: MM (Marvin) — DFT (PRIRODA).
Energy (without ZPE) by DFT/PBE/L1 (cc-pVDZ), chemical shifts by DFT/PBE/L22 (cc-pCVTZ) for L1 geometries (PRIRODA program)

On figure(s) below click on the level title to download xyz file with calculated (DFT/PBE/L22) chemical shifts (5-th column)	==>
Click on energy level to view 3D structure (run jmol java-applet)	==>

Calculated ¹³C NMR chemical shifts: ppm.xls

Conformational analysis and rotation of (1R,2R,5S,8R,10R,13R,14R,19R)-16-cyano-1,2,14,18,18-pentamethyl-17-oxo-8-(3-oxoprop-1-en-2-yl)pentacyclo[11.8.0.02,10.05,9.014,19]henicos-15-ene-5-carboxylate

Conformational analysis and rotation of (1R,2R,5S,8R,10R,13R,14R,19R)-16-cyano-1,2,14,18,18-pentamethyl-17-oxo-8-(3-oxoprop-1-en-2-yl)pentacyclo[11.8.0.0^2,10.0^5,9.0^14,19]henicos-15-ene-5-carboxylate