isovouacapenol C

• 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: isovouacapenol C
• 英文别名: [(4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] benzoate
• 化学式: C₂₇H₃₄O₅
• 分子量: 438.564
• InChiKey: YMUSGWGTHSRGHT-WVTZLOSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  isovouacapenol C 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以17 mg的产率得到7-keto-isovouacapenol C
  参考文献：
  名称：

  Cassane Diterpenoids of Caesalpinia pulcherrima

  摘要：

  Five new cassane diterpenoids (1-5) were isolated from the roots of Caesalpinia pulcherrima, along with the known isovouacapenol C (6), pulcherrimin A (11), and 6beta-cinnamoyl-7beta-hydroxyvouacapen-5alpha-ol (12). Compounds 3-5 possess the alpha,beta-butenolide moiety, whereas compounds 1 and 2 contain a more usual 2,3-disubstituted furan unit. Compounds 7 and 8 were derived from hydrolysis of 6, while 9 and 10 were derived from acetylation and oxidation of 6, respectively. The H-1 and C-13 NMR spectra of all compounds were completely assigned using a combination of 2D NMR. experiments, including H-1-H-1 COSY, HSQC, HMBC, and T-ROESY sequences.

  DOI：

  10.1021/np0302955