【2h】

Metacridamide B methanol-d4 monosolvate

机译:甲基丙烯酰胺B甲醇-d4单溶剂化物

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摘要

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-d 4 monosolvate}, was extracted from conidia of the fungus Metarhizium acridum. Crystals were obtained as a methanol-d 4 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.
机译:标题化合物C35H53NO5·CH3OH {系统名称:(3S,6E,8S,9R,10E,12S,13S,14E,16S,17R)-3-苄基-9,13-二羟基-6,8,10,12 ,14,16-六甲基-17-[((2S,4S)-4-甲基己-2-基] -1-氧杂-4-氮杂环庚烯-6,10,14-三烯-2,5-二酮甲醇-d 4单溶剂化物}是从真菌Medrihizium acridum的分生孢子中提取的。获得晶体,为甲醇-d 4溶剂化物。 4-甲基­己-2-基的尾部在两个位置上表现出无序性,占有率为0.682(9):0.318(9)。晶体结构证实了先前确定的用于乙酰化的化合物间隐酰胺A的9个立体中心的绝对构型。在晶体中,甲醇-d4分子位于肽键羰基的O原子附近,形成O-H⋯ O氢键。它还与相邻的分子形成一个OH H O氢键。在相邻的分子之间观察到N-H⋯O和O-H⋯O氢键。

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