(1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-13-(3-phenylmethoxypropyl)-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-ene | 1246176-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-13-(3-phenylmethoxypropyl)-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-ene
• CAS: 1246176-63-5
• 化学式: C₂₉H₃₆O₅
• 分子量: 464.602
• InChiKey: NDAZMDCCQDTXDS-MUPNWXRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-13-(3-phenylmethoxypropyl)-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-ene 在 dimethyl sulfide borane 、 双氧水 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of the BC/DE ring model of brevisin for confirmation of the structure around the acyclic junction

  摘要：

  Synthesis of the BC/DE ring model of brevisin, a polycyclic ether isolated from the red tide dinoflagellate Karenia brevis, is reported. Comparison of the NMR data of the BC/DE ring model with those corresponding to the same region of brevisin led to the confirmation of its structure around the acyclic juncture. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.001
• 作为产物：
  描述：

  [(1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-en-13-yl] trifluoromethanesulfonate 、 9-(3-Benzyloxy-propyl)-9-bora-bicyclo[3.3.1]nonane 在 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 (1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-13-(3-phenylmethoxypropyl)-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-ene
  参考文献：
  名称：

  Synthesis of the BC/DE ring model of brevisin for confirmation of the structure around the acyclic junction

  摘要：

  Synthesis of the BC/DE ring model of brevisin, a polycyclic ether isolated from the red tide dinoflagellate Karenia brevis, is reported. Comparison of the NMR data of the BC/DE ring model with those corresponding to the same region of brevisin led to the confirmation of its structure around the acyclic juncture. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.001

文献信息

• Synthesis of the BC/DE ring model of brevisin for confirmation of the structure around the acyclic junction
  作者：Takefumi Kuranaga、Masayuki Satake、Daniel G. Baden、Jeffrey L.C. Wright、Kazuo Tachibana

  DOI：10.1016/j.tetlet.2010.07.001

  日期：2010.9

  Synthesis of the BC/DE ring model of brevisin, a polycyclic ether isolated from the red tide dinoflagellate Karenia brevis, is reported. Comparison of the NMR data of the BC/DE ring model with those corresponding to the same region of brevisin led to the confirmation of its structure around the acyclic juncture. (C) 2010 Elsevier Ltd. All rights reserved.