The title compound {systematic name: (6aR,9S)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hy-droxy-2-methyl-3,6-dioxoocta-hydro-8H-oxazolo[3,2-a]pyrrolo-[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexa-hydro-indolo[4,3-fg]quinoline-9-carboxamide}, C(33)H(35)N(5)O(5), was formed by an epimerization reaction of ergotamine. The non-aromatic ring (ring C of the ergoline skeleton) directly fused to the aromatic rings is nearly planar [maximum deviation = 0.317â (4)â à ] and shows an envelope conformation, whereas ring D, involved in an intra-molecular N-Hâ¯N hydrogen bond exhibits a slightly distorted chair conformation. The structure displays chains running approximately parallel to the diagonal of bc plane that are formed through N-Hâ¯O hydrogen bonds.
Ergotaminine.
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作者:Merkel Stefan, Köppen Robert, Koch Matthias, Emmerling Franziska, Nehls Irene
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2012 | 起止号: | 2012 Mar 1; 68(Pt 3):o610-1 |
| doi: | 10.1107/S1600536812003674 | ||
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