Chantrapromma Suchada, Usman Anwar, Fun Hoong-Kun, Laphookhieo Surat, Karalai Chatchanok, Rat-a-pa Yanisa, Chantrapromma Kan
Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand.
Acta Crystallogr C. 2003 Feb;59(Pt 2):o68-70. doi: 10.1107/s0108270102023065. Epub 2003 Jan 18.
The title compounds, 2C(30)H(46)O(8).CH(3)OH.H(2)O, (I), and C(32)H(48)O(9), (II), respectively, are cardenolide glycosides which were isolated from the seeds of Cerbera odollam. There are two crystallographically independent cardenolide molecules in (I), together with one methanol and one water solvate molecule. In both (I) and (II), the steroid nuclei are in cis/trans/cis configurations, with the cyclopentane rings showing conformational flexibility, viz. an envelope conformation in (I) and a twisted conformation in (II). In both compounds, the lactone ring is nearly orthogonal to the cyclopentane ring. The packing of (I) is composed of molecular layers stabilized by five O-H...O hydrogen bonds. In the packing of (II), the molecules are packed into columns by one O-H...O hydrogen bond, and are further interconnected into a three-dimensional network by one O-H...O and three C-H...O interactions.
标题化合物，2C(30)H(46)O(8).CH(3)OH.H(2)O，（I），和C(32)H(48)O(9)，（II），分别是从海芒果种子中分离得到的强心苷类化合物。（I）中有两个晶体学独立的强心苷分子，以及一个甲醇和一个水溶剂分子。在（I）和（II）中，甾体核均为顺/反/顺构型，环戊烷环具有构象灵活性，即（I）中为信封式构象，（II）中为扭曲式构象。在这两种化合物中，内酯环几乎与环戊烷环正交。（I）的堆积由通过五个O-H...O氢键稳定的分子层组成。在（II）的堆积中，分子通过一个O-H...O氢键堆积成柱，并通过一个O-H...O和三个C-H...O相互作用进一步连接成三维网络。
