(-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one | 1303589-58-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one
• 英文别名: [(1R,3E,5R,7S,10E,12S,13S,14S)-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-1-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] benzoate
• CAS: 1303589-58-3
• 化学式: C₂₇H₃₄O₄
• 分子量: 422.565
• InChiKey: JQVANXRIXMMSKB-LXZIDKIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 jolkinodiol
  参考文献：
  名称：

  Lathyrane Diterpenoids from the Roots of Euphorbia micractina and Their Biological Activities

  摘要：

  Seventeen new lathyrane diterpenoids (1 - 17) and two known analogues have been isolated from an ethanolic extract of Euphorbia micractina roots. Their structures including absolute configurations were determined by spectroscopic data interpretation and single-crystal X-ray crystallography. Compound 10 showed activity against HIV-1 replication in vitro, with an IC(50) value of 8.2 mu M. Compounds 6, 7, 11, 14, 15, and 18, at 10(-6) M, showed significant vascular-relaxing activities against phenylephrine-induced vasoconstriction with relaxation rates of 48%, 41%, 42%, 48%, 50%, and 53%, respectively.

  DOI：

  10.1021/np2001489

文献信息

• Lathyrane Diterpenoids from the Roots of <i>Euphorbia micractina</i> and Their Biological Activities
  作者：Ye Tian、Wendong Xu、Chenggen Zhu、Sheng Lin、Yanru Li、Liang Xiong、Sujuan Wang、Ling Wang、Yongchun Yang、Ying Guo、Hua Sun、Xiaoliang Wang、Jiangong Shi

  DOI：10.1021/np2001489

  日期：2011.5.27

  Seventeen new lathyrane diterpenoids (1 - 17) and two known analogues have been isolated from an ethanolic extract of Euphorbia micractina roots. Their structures including absolute configurations were determined by spectroscopic data interpretation and single-crystal X-ray crystallography. Compound 10 showed activity against HIV-1 replication in vitro, with an IC(50) value of 8.2 mu M. Compounds 6, 7, 11, 14, 15, and 18, at 10(-6) M, showed significant vascular-relaxing activities against phenylephrine-induced vasoconstriction with relaxation rates of 48%, 41%, 42%, 48%, 50%, and 53%, respectively.