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40-De-oxy-40(S)-iodo-rapamycin.

Lijun Xie, Jian Zuo, Guoxin Yang

Acta Crystallographica. Section E, Structure Reports Online

|August 21, 2012

Summary

This study details a complex 29-membered ring compound with multiple functional groups and stereocenters. Molecular analysis reveals specific hydrogen bonding patterns in its crystalline structure.

Area of Science:

Organic Chemistry
Crystallography
Supramolecular Chemistry

Background:

The synthesis and structural elucidation of complex macrocyclic compounds are crucial for understanding molecular architecture.
Investigating molecules with multiple functional groups and stereocenters presents significant chemical challenges.

Purpose of the Study:

To characterize a novel 29-membered ring compound, C(51)H(78)INO(12).
To determine the stereochemistry and crystal packing of the title compound.

Main Methods:

Chemical synthesis of the macrocyclic compound.
X-ray crystallography for structural determination.
Analysis of intermolecular and intramolecular interactions.

Main Results:

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The compound features a 29-membered ring with amide, lactone, and ester functionalities.
A total of 15 stereogenic centers were identified within the molecule.
Crystal structure analysis revealed O-H⋯O hydrogen bonds forming C(8) chains and a weak intramolecular interaction.

Conclusions:

The study provides a detailed structural description of a complex macrocycle.
The identified hydrogen bonding networks offer insights into supramolecular assembly in the solid state.