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Pseudokobusine.

K Bhattacharyya¹, T Kar, G Bocelli

¹Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Calcutta 700 032, India. mstk@mahendra.iacs.res.in

Acta Crystallographica. Section C, Crystal Structure Communications

|February 15, 2001

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This study details hetisan-6,11beta,15beta-triol, a complex diterpenoid alkaloid. Its intricate fused-ring structure and hydrogen bonding interactions are characterized.

Area of Science:

Natural Products Chemistry
Organic Chemistry
Structural Chemistry

Background:

Hetisane-type diterpenoid alkaloids represent a unique class of natural products.
Understanding the structural complexity of these compounds is crucial for their classification and potential applications.

Purpose of the Study:

To elucidate the detailed chemical structure of hetisan-6,11beta,15beta-triol.
To characterize the conformational properties and hydrogen bonding network of the compound.

Main Methods:

Chemical characterization of the title compound, C20H27NO3.
Analysis of the fused-ring system, including ring conformations.
Identification and measurement of intramolecular and intermolecular hydrogen bonds.

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Main Results:

Hetisan-6,11beta,15beta-triol possesses a complex structure with six six-membered and two five-membered rings.
The fused-ring system exhibits diverse conformations: three chair, two boat, one distorted boat, and two envelope.
Intramolecular hydrogen bonds (O...O separations of 3.006(3) and 2.743(3) A) and an intermolecular O...N interaction (2.887(3) A) were identified.

Conclusions:

The structural elucidation provides a comprehensive understanding of hetisan-6,11beta,15beta-triol.
The characterized hydrogen bonding network offers insights into the molecule's stability and interactions.
This work contributes to the knowledge base of diterpenoid alkaloids and their structural diversity.