(3a''S,8'R,9a''S,10a''S)-3'-hydroxy-1'',1'',12''-trimethyl-2',3',6'',7'',8'',9'',10'',10a''-octahydro-1''H,3''H,4''H-dispiro[cyclohexane-1,4'-[1,4]dioxepino[2,3-g]indole-8',2''-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-9',11''(10'H)-dione | 190959-20-7

• 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: (3a''S,8'R,9a''S,10a''S)-3'-hydroxy-1'',1'',12''-trimethyl-2',3',6'',7'',8'',9'',10'',10a''-octahydro-1''H,3''H,4''H-dispiro[cyclohexane-1,4'-[1,4]dioxepino[2,3-g]indole-8',2''-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-9',11''(10'H)-dione
• CAS: 190959-20-7
• 化学式: C₃₁H₄₁N₃O₅
• 分子量: 535.684
• InChiKey: OQWANYIFKVCCPK-NHKFPVBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39.0
• 可旋转键数：
  0.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  91.34
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3a''S,8'R,9a''S,10a''S)-3'-hydroxy-1'',1'',12''-trimethyl-2',3',6'',7'',8'',9'',10'',10a''-octahydro-1''H,3''H,4''H-dispiro[cyclohexane-1,4'-[1,4]dioxepino[2,3-g]indole-8',2''-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-9',11''(10'H)-dione 在 甲基三苯氧基碘磷 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 四氯化锡 、 potassium carbonate 、 间氯过氧苯甲酸 、 potassium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 丙酮 为溶剂， 生成 (3a''S,8'R,9a''S,10a''S)-3'-hydroxy-1'',1'',12''-trimethyl-2',3',6'',7'',8'',9'',10'',10a''-octahydro-1''H,3''H,4''H-dispiro[cyclohexane-1,4'-[1,4]dioxepino[2,3-g]indole-8',2''-[3a,9a](epiminomethano)cyclopenta[b]quinolizine]-9',11''(10'H)-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