methyl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate | 76843-37-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
• CAS: 76843-37-3；138232-59-4
• 化学式: C₁₉H₃₀O₃
• 分子量: 306.445
• InChiKey: ASZBLQUWEIZHJP-XLDJKXJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4Z)-8-hydroxydeca-2,4-dienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate 、 三甲基硅烷化重氮甲烷 在 sodium hydroxide 作用下， 生成 methyl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
  参考文献：
  名称：

  Structure elucidation of L-687,781, a new β-1,3-D-glucan synthesis inhibitor.

  摘要：

  A new beta-1,3 glucan synthesis inhibitor, L-687,781 is produced by the cultivation of Dictyochaeta simplex ATCC 20960. Through NMR, mass spectroscopy, and degradation studies the structure of L-687,781 was determined to be 1, a novel member of the papulacandin family of antifungal agents. L-687,781 exhibits potent in vitro antifungal activity as well as anti-Pneumocystis activity in a rat model.

  DOI：

  10.1016/s0040-4020(01)88280-6

文献信息

• US4278665A
  申请人：——

  公开号：US4278665A

  公开（公告）日：1981-07-14
• Structure elucidation of L-687,781, a new β-1,3-D-glucan synthesis inhibitor.
  作者：Frank VanMiddlesworth、Claude Dufresne、Jack Smith、Kenneth E. Wilson

  DOI：10.1016/s0040-4020(01)88280-6

  日期：1991.9

  A new beta-1,3 glucan synthesis inhibitor, L-687,781 is produced by the cultivation of Dictyochaeta simplex ATCC 20960. Through NMR, mass spectroscopy, and degradation studies the structure of L-687,781 was determined to be 1, a novel member of the papulacandin family of antifungal agents. L-687,781 exhibits potent in vitro antifungal activity as well as anti-Pneumocystis activity in a rat model.