(1R,3S,8R)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3]dodec-9-en-11-one

Abstract

The absolute configuration of the title compound, C16H24O, has been deduced from the chemical pathway. The six-membered ring has a roughly half-chair conformation with the quaternary C atom as the flap. The seven-membered ring displays a chair conformation. In the crystal, there is a weak C—H⋯O hydrogen bond between the methyl­ene group of the cyclo­propane ring and the carbonyl group of a screw-axis-related mol­ecule, which builds up a zigzag-like chain along the b-axis direction.

Hybrid of the 1,2,3‐triazole nucleus and sesquiterpene skeleton as a potential antitumor agent: Hemisynthesis, molecular structure, Hirshfeld surface analysis, density functional theory, and in vitro cytotoxic and apoptotic effects

“…The obtained compounds were purified by silica gel column chromatography and elucidated by their 1 H and 13 C NMR spectroscopic analyses. One should mention here that products 2 and 3 were identified according to the reported method [24,25]. On the 1 H NMR spectrum (Figure S1) of the newly prepared product 4, we note the disappearance of the ethylenic proton which appears at δ 5.88 ppm and the appearance of an AB system (J = 20.1 Hz) centered at 5.01 ppm characterizing the methylene proton H-14 as well as the presence of signals between δ 7.23 and 7.40 ppm attributed to aromatic protons, and a signal as a singlet at δ 3.28 ppm assigned to the proton at position 10.…”

New enaminone sesquiterpenic: TiCl4-catalyzed synthesis, spectral characterization, crystal structure, Hirshfeld surface analysis, DFT studies and cytotoxic activity

“…Chemical shifts (δ) are expressed in parts per million (ppm). They were recorded relative to solvent CDCl3 signal (7.26 ppm and 77.16 ppm).FT-IR spectra were recorded on Bruker Vertex 70 spectrometer using a potassium bromide disc in the frequency range 4000-400 cm-1 .UV-Visible spectrum was obtained with a PASTEL UVILINE 9100/9400spectrophotometer, using a solution in DMF in the range of 200-800 nm.It's worthy to mention here that the compound 2 was isolated and identified according to the reported method [29].…”