首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 7β-hy­droxy­royleanone isolated from Taxodium ascendens (B.)
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Crystal structure of 7β-hy­droxy­royleanone isolated from Taxodium ascendens (B.)

机译:升腾生物碱中的7β-羟基吡咯烷酮的晶体结构(B.)

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摘要

The title compound, C20H28O4 [systematic name: (4bS,8aS,10S)-3,10-dihy­droxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenanthrene-1,4-dione], is an abietane-type diterpene, which was isolated from Taxodium ascendens (B.). The compound crystallizes in the chiral space group P21, but it was not possible to determine the absolute structure of the mol­ecule in the crystal by resonant scattering. The mol­ecular structure is stabilized by two intra­molecular O—H⋯O hydrogen bonds, enclosing S(5) and S(6) ring motifs. In the crystal, mol­ecules are linked by O—H⋯O and C—H⋯O hydrogen bonds, forming chains along the [010] direction. The crystal structure of the 10R stereoisomer of the title compound, isolated from the roots of Premna obtusifolia (Verbenaceae), has been reported. It crystallized in the chiral space group P212121, and the absolute structure was determined as (4bS,8aS,10R), by resonant scattering using Cu Kα radiation [Razak et al. (2010). Acta Cryst. E>66, o1566–o1567].
机译:标题化合物C20H28O4 [系统名称:(4bS,8aS,10S)-3,10-二羟基-2-异丙基-4b,8,8-三甲基-4b,5,6,7,8,8a,9,10 -八氢菲菲-1,4-二酮]是一种松果油型二萜,它是从紫杉升腾生物中分离的。该化合物在手性空间基团P21中结晶,但是不可能通过共振散射确定晶体中分子的绝对结构。分子结构由两个分子内O-H = O氢键稳定,包含S(5)和S(6)环基序。在晶体中,分子通过OHH和CHO氢键连接,形成沿[010]方向的链。据报导,该化合物的10R立体异构体的晶体结构是从ob(Premna obtusifolia)(马鞭草科)的根中分离出来的。它在手性空间群P212121中结晶,通过使用CuKα辐射的共振散射将其绝对结构确定为(4bS,8aS,10R)[Razak等。 (2010)。 Acta Cryst。 E > 66 ,o1566–o1567]。

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