myrocin D | 1314027-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: myrocin D
• 英文别名: (1S,2S,5R,8R,9R,12S,15S,17R)-5-ethenyl-2,8-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.01,15.02,7.012,17]heptadec-6-ene-3,11-dione
• CAS: 1314027-76-3
• 化学式: C₂₀H₂₄O₅
• 分子量: 344.408
• InChiKey: BUKXEXVZJPKXME-KPUXXOKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  myrocin D 在 盐酸 作用下， 以 水 为溶剂， 反应 6.0h， 生成 myrocin E
  参考文献：
  名称：

  An unusual spirocyclic isopimarane diterpenoid and other isopimarane diterpenoids from fruiting bodies of Xylaria polymorpha

  摘要：

  Two new isopimarane-type diterpenes, spiropolin A (1) and myrocin E (3), were isolated from Xylaria polymorpha together with the known compound, myrocin D (2), in the course of a screening of the fruiting bodies of X. polymorpha. Their structures were determined on the basis of spectroscopic analysis, chemical conversion and X-ray analysis. Spiropolin A (1) restored the growth inhibition caused by the hyperactivated Ca2+-signaling in mutant yeast. (C) 2013 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2013.05.008