Solid-state circular dichroism and hydrogen bonding: absolute configuration of massarigenin A from Microsphaeropsis sp.

Abstract:

:Massarigenin A (1) and papyracillic acids A (2) and B (3) were isolated from the endophytic fungus Microsphaeropsis sp. Their structures were elucidated by multidimensional nuclear magnetic resonance spectroscopy; the structure of massarigenin A (1) was also confirmed by X-ray crystallography. The absolute configuration of massarigenin A (1) was established by means of circular dichroism (CD) spectroscopy and time-dependent density functional theory (TDDFT) calculations. The impact of intermolecular hydrogen bonds detected in the crystal packing of 1 on CD spectra measured in the solid state was also investigated.

journal_name

Chirality

journal_title

Chirality

authors

Hussain H,Ahmed I,Schulz B,Draeger S,Flörke U,Pescitelli G,Krohn K

doi

10.1002/chir.20985

subject

Has Abstract

pub_date

2011-09-01 00:00:00

pages

617-23

issue

8

eissn

0899-0042

issn

1520-636X

journal_volume

23

pub_type

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