Comparison of crystal and solution structures and H-1 and C-13 chemical shifts for grandiflorenic acid, kaurenoic acid, and monoginoic acid
Comparison of crystal and solution structures and H-1 and C-13 chemical shifts for grandiflorenic acid, kaurenoic acid, and monoginoic acid
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DOI：
10.1139/v97-039
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发表时间：
1997-03-01
期刊：
影响因子：
--
通讯作者：
Gnecco, D
中科院分区：
文献类型：
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作者：
Enriquez, RG;Barajas, J;Gnecco, D
单烯酸的晶体结构，3，与先前报道的kauradienic酸的结构进行了比较，1，kauradienic酸，2。对这三种二萜进行了H-1和C-13的化学位移，并通过溶液NOE测量确定了溶液和晶体结构构象。2和3的整体形状非常相似，而1则明显不同。这些差异可能部分地解释了1相对于2和3有更大的体外促子宫活性。
The crystal structure of monoginoic acid, 3, is determined acid compared with previously reported structures of kauradienoic acid, 1, acid kaurenoic acid, 2. H-1 and C-13 chemical shifts are assigned for all three diterpenes and solution and crystal structure conformations are confirmed with the aid of solution NOE measurements. The overall shapes of 2 and 3 are very similar while 1 is significantly dissimilar. These differences may be partially responsible for the reported greater in vitro uterotropic activity of 1, relative to 2 and 3.