(1S,2S,4aR,5S,8aS)-2-{2-[2-((5R,6R)-3,4-Dimethoxy-2-oxo-1-oxa-spiro[4.5]deca-3,8-dien-6-ylmethyl)-cyclopropyl]-ethyl}-5-methoxymethoxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester | 79392-26-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1S,2S,4aR,5S,8aS)-2-{2-[2-((5R,6R)-3,4-Dimethoxy-2-oxo-1-oxa-spiro[4.5]deca-3,8-dien-6-ylmethyl)-cyclopropyl]-ethyl}-5-methoxymethoxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
• CAS: 79392-26-0
• 化学式: C₃₂H₄₆O₈
• 分子量: 558.712
• InChiKey: QEIVIZCHULMXLR-RCXRHNIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  40.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (1S,2S,4aR,5S,8aS)-2-[(E)-6-((5R,6R)-3,4-Dimethoxy-2-oxo-1-oxa-spiro[4.5]deca-3,8-dien-6-yl)-3-formyl-hex-5-enyl]-5-methoxymethoxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester 在 Wilkinson's catalyst 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 生成 (1S,2S,4aR,5S,8aS)-2-{2-[2-((5R,6R)-3,4-Dimethoxy-2-oxo-1-oxa-spiro[4.5]deca-3,8-dien-6-ylmethyl)-cyclopropyl]-ethyl}-5-methoxymethoxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester 、 (1S,2S,4aR,5S,8aS)-2-[(Z)-6-((5R,6R)-3,4-Dimethoxy-2-oxo-1-oxa-spiro[4.5]deca-3,8-dien-6-yl)-hex-5-enyl]-5-methoxymethoxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester 、 (1S,2S,4aR,5S,8aS)-2-[(E)-6-((5R,6R)-3,4-Dimethoxy-2-oxo-1-oxa-spiro[4.5]deca-3,8-dien-6-yl)-hex-5-enyl]-5-methoxymethoxy-1-methyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Approach to the total synthesis of chlorothricolide: synthesis of "7-epi-bottom half" and its union with "top half" systems

  摘要：

  DOI：

  10.1021/jo00337a008