Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, Institute of Traditional Chinese Medicine and Natural Products, Jinan University, Guangzhou 510632, People's Republic of China.
Published: June 2012
AI Article Synopsis
Article Abstract
The title compound, C(24)H(30)O(5), is the didehydro product of the steroid hellebrigenin (systematic name: 3β,5,14-trihy-droxy-19-oxo-5β-bufa-20,22-dienolide). It consists of three cyclo-hexane rings (A, B and C), a five-membered ring (D) and a six-membered lactone ring (E). The stereochemistry of the ring junctions are A/B cis, B/C trans and C/D cis. Cyclo-hexane rings A, B and C have normal chair conformations. The five-membered ring D with the C=C bond adopts an envelope conformation. Lactone ring E is essentially planar with a mean derivation of 0.006 (4) Å and is β-oriented at the C atom of ring D to which it is attached. There is an O-H⋯O hydrogen bond in the mol-ecule involving the hy-droxy groups. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [010]. The chains are linked by C-H⋯O contacts into a three-dimensional network.
Drug Discovery and Smart Molecules Research Laboratory, Department of Chemical, Sciences, University of Johannesburg, PO Box 17011, Doornfontein, Johannesburg 2028, South Africa.
This title compound, CHO, was isolated from the benzene fraction of the stem bark of Warb. (Myristicaceae) using column chromatography techniques over silica gel. The compound was fully characterized by single-crystal X-ray diffraction, one and two-dimensional NMR spectroscopy, IR and MS spectrometry.
The synthetic availability of mol-ecular water oxidation catalysts containing high-valent ions of 3 metals in the active site is a prerequisite to enabling photo- and electrochemical water splitting on a large scale. Herein, the synthesis and crystal structure of di-ammonium {μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca-aza-tetra-cyclo-[8.8.
In the title compound, CHO, the two cyclo-hexane rings adopt boat and half-chair conformations. In the crystal, adjacent mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. According to a Hirshfeld surface study, H⋯H inter-actions are the most significant contributors to the crystal packing (63.
In the fused tetra-cyclic system of the title compound, CHO, the five-membered dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of the other three atoms by -0.252 (6) and 0.340 (6) Å.
