Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



fj2623 scheme

Acta Cryst. (2013). E69, o742    [ doi:10.1107/S1600536813009641 ]

Metacridamide B methanol-d4 monosolvate

U. Englich and S. B. Krasnoff

Abstract: The title compound, C35H53NO5·CH3OH {systematic name: (3S,6E,8S,9R,10E,12S,13S,14E,16S,17R)-3-benzyl-9,13-dihydroxy-6,8,10,12,14,16-hexamethyl-17-[(2S,4S)-4-methylhexan-2-yl]-1-oxa-4-azacycloheptadeca-6,10,14-triene-2,5-dione methanol-d4 monosolvate}, was extracted from conidia of the fungus Metarhizium acridum. Crystals were obtained as a methanol-d4 solvate. The tail part of the 4-methylhexan-2-yl group exhibits disorder over two positions, with an occupancy ratio of 0.682 (9):0.318 (9). The crystal structure confirms the absolute configuration of nine stereocenters determined previously for the acetylated compound metacridamide A. In the crystal, the methanol-d4 molecule is positioned close to the O atom in the carbonyl group of the peptide bond, forming an O-H...O hydrogen bond. It also forms an O-H...O hydrogen bond with an adjacent molecule. N-H...O and O-H...O hydrogen bonds are observed between neighboring molecules.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813009641/fj2623sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (14.3 kbytes)
[ doi:10.1107/S1600536813009641/fj2623Isup3.cml ]
Supplementary material


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster