(1R,4aS,5R,8aS)-5-((R)-5-Hydroxy-3-methyl-pentyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid methyl ester | 138125-25-4

• 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: (1R,4aS,5R,8aS)-5-((R)-5-Hydroxy-3-methyl-pentyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid methyl ester
• CAS: 138125-25-4
• 化学式: C₂₁H₃₆O₃
• 分子量: 336.515
• InChiKey: RBLSXVITVQCZSU-UEUMHJPSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.74
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (1R,4aS,5R,8aS)-5-((R)-5-Hydroxy-3-methyl-pentyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid methyl ester 在 pyridinium chlorochromate 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以10 mg的产率得到15-Oxo-ent-labd-8(17)-en-19-oic acid methyl ester
  参考文献：
  名称：

  Diterpenes and norditerpenes from the Aristeguetia group

  摘要：

  A reinvestigation of Aristeguetia buddleaefolia gave 16 new labdanes and two nor-labdanes, while A. glutinosa afforded, in addition to large amounts of 8,15-dihydroxylabdane, three new nor-labdanes. Badillao salicina gave six new cis-clerodanes and Grosvenoria rimbachii, guaianolides and tremetone derivatives, four of which were new. The structures were elucidated by high field NMR techniques and a few chemical transformations. The chemotaxonomy is discussed briefly.

  DOI：

  10.1016/s0031-9422(00)98238-4

文献信息

• Diterpenes and norditerpenes from the Aristeguetia group
  作者：C. Zdero、F. Bohlmann、R.M. King

  DOI：10.1016/s0031-9422(00)98238-4

  日期：1991.1

  A reinvestigation of Aristeguetia buddleaefolia gave 16 new labdanes and two nor-labdanes, while A. glutinosa afforded, in addition to large amounts of 8,15-dihydroxylabdane, three new nor-labdanes. Badillao salicina gave six new cis-clerodanes and Grosvenoria rimbachii, guaianolides and tremetone derivatives, four of which were new. The structures were elucidated by high field NMR techniques and a few chemical transformations. The chemotaxonomy is discussed briefly.