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本文报导了从菊叶三七[Gynara Segetum(Lout.)Merr.]中提取的一个大环双稠吡咯啶生物碱的分子及晶体结构。晶体为正交晶系,晶胞参数:a=9.004(3),b=11.332(3),c=17.173(7)。空间群为D_2~4 P_(212121),Z=4,D_(cal)=1.27g/cm~3。结构模型由SHELXTL程序解出,经最小二乘修正,最后的一致性因子R=.054。 该化合物分子在吡咯核C_((1))—C_((2))间是双键;O_((1))—C_((8))—C_((1))—C_((2))双面角为106.5°;大环包括12个原子,环上连接的侧基与有毒的千里光碱(Senecionine)相同。
This paper reports the molecular and crystal structure of a macrocyclic double-condensed pyrrolizidine alkaloid extracted from Gynara Segetum (Lout.) Merr. The crystals are orthorhombic with unit cell parameters: a = 9.004 (3), b = 11.332 (3), c = 17.173 (7). The space group is D_2 ~ 4 P_ (212121), Z = 4, D_ (cal) = 1.27g / cm ~ 3. The structural model is solved by the SHELXTL program and corrected by least squares. The final concordance factor is R = .054. The molecule of the compound is a double bond between C_ ((1)) - C_ ((2)) of the pyrrole nucleus; O_ (1) -C_ (8) -C_ (1) -C_ (2) ) With a dihedral angle of 106.5 °; the macrocycle consists of 12 atoms and the pendant groups attached to the ring are the same as the toxic Senecionine.