Revision of the Structures of 1,5-Dihydroxy-3,8-epoxyvalechlorine, Volvaltrate B, and Valeriotetrate C from <i>Valeriana jatamansi</i> and <i>V. officinalis</i>

The structures of 1,5-dihydroxy-3,8-epoxyvalechlorine (1a) and volvaltrate B (6a), two new chlorinated iridoids isolated from Valeriana jatamansi and V. officinalis, respectively, were originally assigned on the basis of spectroscopic methods. Reinvestigation using X-ray analysis and chemical transformation revealed that the original assignment of H-7 in 1a and OH-8 in 6a should be inverted and that the structures should be revised to 1 and 6, respectively. Correspondingly, the structure of valeriotetrate C (7a) should be revised to 7. Volvaltrate B (6) showed cytotoxic activity against the lung adenocarcinoma (A549), metastatic prostate cancer (PC-3M), colon cancer (HCT-8), and hepatoma (Bel7402) cell lines, with IC50 values of 8.5, 2.0, 3.2, and 6.1 μM, respectively.分别从蜘蛛香（Valeriana jatamansi）和药用缬草（Valeriana officinalis）中分离得到的两个新型氯化环烯醚萜类化合物1,5-二羟基-3,8-环氧瓦勒氯素(1a)与伏瓦尔特酯B(6a)，其结构最初通过波谱学方法推定。后续借助X射线衍射分析与化学转化开展的重新研究表明，1a中的H-7与6a中的OH-8的构型需进行翻转，二者的结构应分别修正为1和6；相应地，瓦勒特四酯C(7a)的结构也应修正为7。伏瓦尔特酯B(6)对肺腺癌细胞(A549)、转移性前列腺癌细胞(PC-3M)、结肠癌细胞(HCT-8)及肝癌细胞(Bel7402)均表现出细胞毒活性，其半数抑制浓度(IC50)分别为8.5、2.0、3.2和6.1 μM。