actinoallolide B

• 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: actinoallolide B
• 英文别名: (1S,5R,7E,10R,12R)-12-ethyl-1-hydroxy-8,10-dimethyl-5-[(E,2R,3R,4R,8S,9R,10R,11S)-3,9,11-trihydroxy-4,6,8,10-tetramethyltridec-6-en-2-yl]-4,13-dioxabicyclo[8.2.1]tridec-7-ene-3,11-dione
• 化学式: C₃₂H₅₄O₈
• 分子量: 566.776
• InChiKey: GLIPEBQBWMVZJH-CLCWVXPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  actinoallolide B 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.05h， 以76%的产率得到actinoallolide D
  参考文献：
  名称：

  Actinoallolides A–E, New Anti-trypanosomal Macrolides, Produced by an Endophytic Actinomycete, Actinoallomurus fulvus MK10-036

  摘要：

  Five new anti-trypanosomal macrolides, actinoallolides A-E (1-5), were discovered from the cultured broth of Actinoallomurus fulvus MK10-036. The structures of the actinoallolides, including absolute stereochemistry, were elucidated by a combination of spectroscopic analyses and a series of chemical derivatization studies. Actinoallolide A showed the most potent and selective in vitro anti-trypanosomal activity without cytotoxicity. A new class of promising lead compounds was identified for the development of drugs for both sleeping sickness and Chagas disease.

  DOI：

  10.1021/ol5037216
• 作为产物：
  描述：

  actinoallolide A 在 三乙基硼 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 正己烷 、 甲醇 为溶剂， 反应 8.5h， 以79%的产率得到actinoallolide B
  参考文献：
  名称：

  Actinoallolides A–E, New Anti-trypanosomal Macrolides, Produced by an Endophytic Actinomycete, Actinoallomurus fulvus MK10-036

  摘要：

  Five new anti-trypanosomal macrolides, actinoallolides A-E (1-5), were discovered from the cultured broth of Actinoallomurus fulvus MK10-036. The structures of the actinoallolides, including absolute stereochemistry, were elucidated by a combination of spectroscopic analyses and a series of chemical derivatization studies. Actinoallolide A showed the most potent and selective in vitro anti-trypanosomal activity without cytotoxicity. A new class of promising lead compounds was identified for the development of drugs for both sleeping sickness and Chagas disease.

  DOI：

  10.1021/ol5037216