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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.


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