ursolic acid lactone | 29428-70-4

• 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: ursolic acid lactone
• 英文别名: (1S,4S,5R,8R,10S,13R,14R,17S,18R,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
• CAS: 29428-70-4
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: JGZVNQDYYGVIBP-RUOWOPRNSA-N

物化性质

• 沸点：
  563.6±50.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 ursolic acid lactone 在 吡啶 作用下， 生成 3β-acetoxyurs-28,13-olide
  参考文献：
  名称：

  18.三萜。第五部分。β-淀粉膏蛋白的环C，D和E和三萜类的萜烯基的一些相对构型

  摘要：

  DOI：

  10.1039/jr9520000078
• 作为产物：
  描述：

  熊果酸 在 Ca(bis(triflimide))2 、 tert-butylammonium hexafluorophosphate(V) 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以75%的产率得到ursolic acid lactone
  参考文献：
  名称：

  六氟异丙醇中未活化烯烃的钙（II）-和三氟甲酰亚胺催化的分子内氢酰氧基化

  摘要：

  我们报告了未活化烯烃的有效分子内氢酰氧基化作用，提供了对相关γ-内酯的流线型通道，其特征在于利用了钙盐（II）或三氟甲酰亚胺作为六氟异丙醇中的催化剂。该方法可用于天然产物的合成以及天然和生物活性分子的后期功能化。此外，DFT计算用于阐明在未活化烯烃的加氢酰胺化和加氢酰氧基化之间有关5和6元环形成的反应性扭曲。

  DOI：

  10.1021/acs.orglett.9b02705

文献信息

• Katai, Masaaki; Terai, Tadamasa; Meguri, Haruo, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 5, p. 1567 - 1571
  作者：Katai, Masaaki、Terai, Tadamasa、Meguri, Haruo

  DOI：——

  日期：——
• NOVEL BIOPESTICIDE COMPOSITIONS AND METHOD FOR ISOLATION AND CHARACTERIZATION OF SAME
  申请人：The Energy and Resources Institute (TERI)

  公开号：EP2488036A2

  公开（公告）日：2012-08-22
• Novel Biopesticide Compositions And Method For Isolation And Characterization Of Same
  申请人：Kaushik Nutan

  公开号：US20120128648A1

  公开（公告）日：2012-05-24

  The present invention describes the isolation and characterization of the novel biopesticide compositions and/or biopesticide formulations obtained from Eucalyptus species capable of serving as effective biocontrol agents and/or pest control management agents. The invention focuses on the isolation of these biopesticide compositions and formulations that are known to possess pesticidal properties and are derived from natural sources having biological origin. The invention more particularly describes the isolation and characterization, including but not confined to, novel biopesticide compositions possessing pesticidal attributes along with other pharmaceutically important attributes so as to also function as effective biocontrol agents.
• [EN] NOVEL BIOPESTICIDE COMPOSITIONS AND METHOD FOR ISOLATION AND CHARACTERIZATION OF SAME<br/>[FR] NOUVELLES COMPOSITIONS BIOPESTICIDES ET LEUR PROCÉDÉ D'ISOLEMENT ET DE CARACTÉRISATION
  申请人：ENERGY AND RESOURCES INST TERI

  公开号：WO2011013133A2

  公开（公告）日：2011-02-03

  The present invention describes the isolation and characterization of the novel biopesticide compositions and/or biopesticide formulations obtained from Eucalyptus species capable of serving as effective biocontrol agents and/or pest control management agents. The invention focuses on the isolation of these biopesticide compositions and formulations that are known to possess pesticidal properties and are derived from natural sources having biological origin. The invention more particularly describes the isolation and characterization, including but not confined to, novel biopesticide compositions possessing pesticidal attributes along with other pharmaceutically important attributes so as to also function as effective biocontrol agents.
• Calcium(II)- and Triflimide-Catalyzed Intramolecular Hydroacyloxylation of Unactivated Alkenes in Hexafluoroisopropanol
  作者：Chenxiao Qi、Shengwen Yang、Vincent Gandon、David Lebœuf

  DOI：10.1021/acs.orglett.9b02705

  日期：2019.9.20

  hydroacyloxylation of unactivated alkenes, offering a streamlined access to relevant γ-lactones, which features the utilization of either a calcium(II) salt or triflimide as a catalyst in hexafluoroisopropanol. This method could be applied to the synthesis of natural products and the late-stage functionalization of natural and bioactive molecules. Additionally, DFT computations were used to elucidate the twist

  我们报告了未活化烯烃的有效分子内氢酰氧基化作用，提供了对相关γ-内酯的流线型通道，其特征在于利用了钙盐（II）或三氟甲酰亚胺作为六氟异丙醇中的催化剂。该方法可用于天然产物的合成以及天然和生物活性分子的后期功能化。此外，DFT计算用于阐明在未活化烯烃的加氢酰胺化和加氢酰氧基化之间有关5和6元环形成的反应性扭曲。