CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE

[摘要] The structure of this 14α-acetoxy-13α-hydroxymulin-11-en-20-oic acid monohydrate consists of a mulinane skeleton and the corresponding isopropyl, methyl, carboxyl and methyl groups at C3, C8, C5, C13, respectively, which are β-oriented, whereas the hydroxyl and acetoxy groups at C13 and C-14 are α-oriented. The cyclopentane (A), cyclohexane (B) and cycloheptene (C) rings are trans (A/B) and (B/C) cis fused, and in an envelope, chair, and twist conformation respectively. In the crystal the organic molecules are linked by the water molecules by two intermolecular О—H…O hydrogen bond forming 1D-dimensional chains with graph-set notation (9).

[学科分类] 化学（综合）

[关键词] mulinane;diterpenoid;Azorella compacta;X-ray diffraction;crystal and supramolecular structure.