sinulariol D | 1329684-12-9

• 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: sinulariol D
• 英文别名: (1S,2S,5Z,9R,10E,12S)-5-(hydroxymethyl)-1,9-dimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,10-diene-2,9-diol
• CAS: 1329684-12-9
• 化学式: C₂₀H₃₄O₄
• 分子量: 338.488
• InChiKey: TZSLUUFHOBWCSG-UQQBDNORSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  69.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sinulariol D 在 咪唑 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 33.0h， 生成
  参考文献：
  名称：

  Sinulariols A–S, 19-oxygenated cembranoids from the Chinese soft coral Sinularia rigida

  摘要：

  Chemical examination of a Chinese soft coral Sinularia rigida resulted in the isolation and characterization of 19 new cembrane-type diterpenoids, designated as sinulariols A-S (1-19). Their structures were determined on the basis of extensive spectroscopic (2D NMR, IR, and MS) analysis in association with modified Mosher's method. All compounds featured unusual 19-oxygenated functionalities, which are rarely found from cembranoid family. The biogenetic transformation of the isolated compounds is postulated. Part of the isolated cembranoids showed significant anti-fouling activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.029
• 作为产物：
  描述：

  sinulariol A 在 air 作用下， 反应 336.0h， 生成 sinulariol J 、 sinulariol D
  参考文献：
  名称：

  Sinulariols A–S, 19-oxygenated cembranoids from the Chinese soft coral Sinularia rigida

  摘要：

  Chemical examination of a Chinese soft coral Sinularia rigida resulted in the isolation and characterization of 19 new cembrane-type diterpenoids, designated as sinulariols A-S (1-19). Their structures were determined on the basis of extensive spectroscopic (2D NMR, IR, and MS) analysis in association with modified Mosher's method. All compounds featured unusual 19-oxygenated functionalities, which are rarely found from cembranoid family. The biogenetic transformation of the isolated compounds is postulated. Part of the isolated cembranoids showed significant anti-fouling activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.029