TY - JOUR AU - Iván Brito AU - Jorge Borquez AU - Ruben Muñoz AU - Alejandro Cárdenas PY - 2018/04/25 Y2 - 2024/03/29 TI - CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE JF - Journal of the Chilean Chemical Society JA - JCCHEMS VL - 63 IS - 1 SE - Original Research Papers DO - UR - https://jcchems.com/index.php/JCCHEMS/article/view/592 AB - 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 OH⋅⋅⋅O hydrogen bond forming 1D-dimensional chains with graph-set notation (9). ER -