(1S,3R,6R,6aS,6bR,7aS,10R,10aS,12bS)-10-(3-呋喃基)-4,4,6A,10A,12B-五甲基-8-氧代十六氢萘并[2,1-f]环氧乙烷并[d]异苯并吡喃-1,3,6-三基三乙酸酯 | 2524-38-1

• 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
• 中文名称: (1S,3R,6R,6aS,6bR,7aS,10R,10aS,12bS)-10-(3-呋喃基)-4,4,6A,10A,12B-五甲基-8-氧代十六氢萘并[2,1-f]环氧乙烷并[d]异苯并吡喃-1,3,6-三基三乙酸酯
• 英文名称: khivorin
• 英文别名: [(1S,2R,4S,7S,8S,11R,12S,13S,15R,17S,19R)-13,15-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
• CAS: 2524-38-1
• 化学式: C₃₂H₄₂O₁₀
• 分子量: 586.679
• InChiKey: ODLCLZLDYDHRGT-NEGPAABLSA-N

物化性质

• 熔点：
  256-263 °C
• 沸点：
  634.7±55.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tricarbonyl(cyclohexadienyl)iron tetrafluoroborate 、 (1S,3R,6R,6aS,6bR,7aS,10R,10aS,12bS)-10-(3-呋喃基)-4,4,6A,10A,12B-五甲基-8-氧代十六氢萘并[2,1-f]环氧乙烷并[d]异苯并吡喃-1,3,6-三基三乙酸酯 以 甲苯 为溶剂， 反应 48.0h， 以36%的产率得到
  参考文献：
  名称：

  Demetallation of 1,3-diene products obtained from addition of natural products to tricarbonyl(cyclohexadienyl)iron tetrafluoroborate

  摘要：

  The demetallation of adducts obtained from the addition of biologically active natural products to [Fe (1-5-eta-C6H7) (CO)(3)][BF4] using the oxidizing agent, trimethylamine-N-oxide, afford new organic compounds which are otherwise inaccessible by conventional organic techniques. The products of demetallation were characterized using NMR (H-1, C-13), MS and IR spectroscopic measurements. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.12.042

文献信息

• COMPOSITIONS AND METHODS FOR NEUROPROTECTION
  申请人：The Johns Hopkins University

  公开号：EP2056818B1

  公开（公告）日：2011-05-25
• SCREENING ASSAY TO IDENTIFY CORRECTORS OF PROTEIN TRAFFICKING DEFECTS
  申请人：Traffick Therapeutics Inc.

  公开号：EP2152276A1

  公开（公告）日：2010-02-17
• COMPOUNDS FOR THE MODULATION OF HUNTINGTIN AGGREGATION, METHODS AND MEANS FOR IDENTIFYING SUCH COMPOUNDS
  申请人：Hochschule Mannheim

  公开号：EP2164865A2

  公开（公告）日：2010-03-24
• Compositions and methods for neuroprotectin
  申请人：Steiner P. Joseph

  公开号：US20080090897A1

  公开（公告）日：2008-04-17

  Disclosed herein are neuroprotective compounds. Methods for the preparation of such compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the compounds disclosed, alone or in combination with other therapeutic agents, for the treatment of neurodegenerative conditions are provided.
• Methods and compositions for treating metabolic disorders
  申请人：Mootha Vamsi Krishna

  公开号：US20090143279A1

  公开（公告）日：2009-06-04

  The present invention provides methods of treating of disorders characterized by defective mitochondrial activity. In particular compounds of the present invention can be used in the treatment metabolic diseases and neurodegenerative diseases. The methods are also useful to increase oxidative phosphorylation or to decrease reactive oxygen species (ROS) production in a subject in need thereof.