sarcotol acetate | 161897-63-8

• 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: sarcotol acetate
• 英文别名: [(1R,4E,8R,9E,11S)-8-hydroxy-1,4,8-trimethyl-2-oxo-11-propan-2-ylcyclotrideca-4,9-dien-1-yl]methyl acetate
• CAS: 161897-63-8
• 化学式: C₂₂H₃₆O₄
• 分子量: 364.525
• InChiKey: BHSGVCGSYDQSIG-WTHLIIFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  sarcotol acetate 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以12%的产率得到Acetic acid (3E,8E)-(1S,7R,10S,13R)-7-hydroxy-13-hydroxymethyl-10-isopropyl-3,7,13-trimethyl-cyclotrideca-3,8-dienyl ester
  参考文献：
  名称：

  Irregular cembranoids containing a 13-membered carbocyclic skeleton isolated from a soft coral, Sarcophyton species

  摘要：

  The structures and absolute structures of three new 13-membered carbocyclic cembranoids, sarcotol (1), sarcotol acetate (2), and sarcotal acetate (3) from a soft coral, Sarcophyton sp. have been determined by spectroscopic and single crystal X-ray analyses, and chemical conversion. Ichthyotoxity tests were performed for 1, 2, 3, and their reduction products.

  DOI：

  10.1016/0040-4020(95)00205-m
• 作为产物：
  描述：

  乙酸酐 、 sarcotol 以 吡啶 为溶剂， 生成 sarcotol acetate
  参考文献：
  名称：

  Irregular cembranoids containing a 13-membered carbocyclic skeleton isolated from a soft coral, Sarcophyton species

  摘要：

  The structures and absolute structures of three new 13-membered carbocyclic cembranoids, sarcotol (1), sarcotol acetate (2), and sarcotal acetate (3) from a soft coral, Sarcophyton sp. have been determined by spectroscopic and single crystal X-ray analyses, and chemical conversion. Ichthyotoxity tests were performed for 1, 2, 3, and their reduction products.

  DOI：

  10.1016/0040-4020(95)00205-m