(3R,3a'S,9a'S,10a'S)-7-((1-oxaspiro[2.5]octan-2-yl)methoxy)-6-hydroxy-1',1',12'-trimethyl-6',7',8',9',10',10a'-hexahydro-1'H,3'H,4'H-spiro[indoline-3,2'-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-2,11'-dione | 190959-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: (3R,3a'S,9a'S,10a'S)-7-((1-oxaspiro[2.5]octan-2-yl)methoxy)-6-hydroxy-1',1',12'-trimethyl-6',7',8',9',10',10a'-hexahydro-1'H,3'H,4'H-spiro[indoline-3,2'-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-2,11'-dione
• CAS: 190959-11-6
• 化学式: C₃₁H₄₁N₃O₅
• 分子量: 535.684
• InChiKey: KEEVFLPCOPYNMG-NHKFPVBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  39.0
• 可旋转键数：
  3.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  94.64
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3R,3a'S,9a'S,10a'S)-7-((1-oxaspiro[2.5]octan-2-yl)methoxy)-6-hydroxy-1',1',12'-trimethyl-6',7',8',9',10',10a'-hexahydro-1'H,3'H,4'H-spiro[indoline-3,2'-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-2,11'-dione 在 甲基三苯氧基碘磷 、 四氯化锡 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  C26 DIALKYL AND SPIROALKYL ANALOGS OF MARCFORTINE A

  摘要：

  The C26 dimethyl dioxepinoindole ring found in marcfortine A is unique among natural products. In order to ascertain the importance of the dimethyl moiety to anthelmintic activity, we prepared a variety of C26-dialkyl and spiroalkyl analogs. They include cyclobutyl, cyclohexyl, diethyl, and ethyl-methyl derivatives. This communication describes the synthesis of these compounds. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00224-2
• 作为产物：
  描述：

  (2-溴乙亚基)环己烷 在 potassium carbonate 、 间氯过氧苯甲酸 、 potassium iodide 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 生成 (3R,3a'S,9a'S,10a'S)-7-((1-oxaspiro[2.5]octan-2-yl)methoxy)-6-hydroxy-1',1',12'-trimethyl-6',7',8',9',10',10a'-hexahydro-1'H,3'H,4'H-spiro[indoline-3,2'-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-2,11'-dione
  参考文献：
  名称：

  C26 DIALKYL AND SPIROALKYL ANALOGS OF MARCFORTINE A

  摘要：

  The C26 dimethyl dioxepinoindole ring found in marcfortine A is unique among natural products. In order to ascertain the importance of the dimethyl moiety to anthelmintic activity, we prepared a variety of C26-dialkyl and spiroalkyl analogs. They include cyclobutyl, cyclohexyl, diethyl, and ethyl-methyl derivatives. This communication describes the synthesis of these compounds. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00224-2