薊苦素

薊苦素（英文：cnicin），是一种倍半萜内酯，属于germacranolide类天然产物，主要存在于藏掖花中，斑点矢车菊中也有存在。[1][2]

薊苦素
IUPAC名
(3aR,4S,6E,10Z,11aR)-10-(Hydroxymethyl)-6-methyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (3R)-3,4-dihydroxy-2-methylidenebutanoate
识别
CAS号 24394-09-0  checkY
PubChem 5281435
ChemSpider 4444781
SMILES
 
  • O=C/1O[C@@H]2/C=C(/CC/C=C(/C[C@H](OC(=O)\C(=C)[C@@H](O)CO)[C@H]2C\1=C)C)CO
InChI
 
  • 1/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1
InChIKey ZTDFZLVUIVPZDU-QGNHJMHWBP
性质
化学式 C20H26O7
摩尔质量 378.42 g·mol−1
若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

参考资料
  1. Olson, B. E.; Kelsey, R. G. . J. Chem. Ecol. 1997, 23 (4): 1131–1144. S2CID 12499959. doi:10.1023/B:JOEC.0000006391.88098.12.
  2. Providing Supplement, with or without PEG, to reduce the effects of cnicin and enhance grazing of spotted knapweed by sheep and cattle （页面存档备份，存于）, Masters Thesis, M Cheeseman, Montana State University
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