[(1S,2R,6S,9S,10S)-1,9-dimethyl-5-methylidene-4,13-dioxo-3,14-dioxatricyclo[8.4.0.02,6]tetradec-11-en-10-yl] butanoate | 1331837-17-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(1S,2R,6S,9S,10S)-1,9-dimethyl-5-methylidene-4,13-dioxo-3,14-dioxatricyclo[8.4.0.02,6]tetradec-11-en-10-yl] butanoate
• CAS: 1331837-17-2
• 化学式: C₁₉H₂₄O₆
• 分子量: 348.396
• InChiKey: WIFLOZIQWRWMOH-WTBCKCGFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  银胶菊宁 在 indium(III) chloride 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 [(1S,2R,6S,9S,10S)-1,9-dimethyl-5-methylidene-4,13-dioxo-3,14-dioxatricyclo[8.4.0.02,6]tetradec-11-en-10-yl] butanoate
  参考文献：
  名称：

  Psilostachyin, acetylated pseudoguaianolides and their analogues: Preparation and evaluation of their anti-inflammatory potential

  摘要：

  Naturally occurring acetylated pseudoguaianolides and psilostachyin including their analogues were synthesized. The structure of semi-synthetic psilostachyin was also confirmed by X-ray crystallography. The anti-inflammatory potential of all the derivatives has been evaluated through in vitro expression of TNF-alpha, IL-1 beta and IL-6 in murine neutrophils. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.037

文献信息

• Psilostachyin, acetylated pseudoguaianolides and their analogues: Preparation and evaluation of their anti-inflammatory potential
  作者：Renu Chib、Bhahwal Ali Shah、Naveen Anand、Anjali Pandey、Kamini Kapoor、Sarang Bani、Vivek K. Gupta、Rajnikant、Vijay K. Sethi、Subhash Chandra Taneja

  DOI：10.1016/j.bmcl.2011.06.037

  日期：2011.8

  Naturally occurring acetylated pseudoguaianolides and psilostachyin including their analogues were synthesized. The structure of semi-synthetic psilostachyin was also confirmed by X-ray crystallography. The anti-inflammatory potential of all the derivatives has been evaluated through in vitro expression of TNF-alpha, IL-1 beta and IL-6 in murine neutrophils. (C) 2011 Elsevier Ltd. All rights reserved.