kairatenyl 3β-O-palmitate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: kairatenyl 3β-O-palmitate
• 英文别名: Kairatenyl Palmitate；[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
• 化学式: C₄₆H₈₀O₂
• 分子量: 665.14
• InChiKey: LFBNQDYKXBDQSB-LEZMQJCVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  48
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  kairatenyl 3β-O-palmitate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以0.6 mg的产率得到kairatenol
  参考文献：
  名称：

  Two New Triterpene Esters from the Twigs of Brachylaena ramiflora from the Madagascar Rainforest

  摘要：

  Bioassay-guided fractionation of a CH2Cl2/MeOH extract of the small twigs of Brachylaena ramiflora var ramiflora resulted in the isolation of the two new triterpene esters I and 2 and five known triterpenoids, alpha amyrin palmitate (3), beta-amyrin palmitate (4), beta-amyrin acetate (5), lupeyl acetate (6), and lupeol (7) The structures of the two new compounds were established as kairatenyl palmitate (1) and hopenyl palmitate (2) on the basis of 1D and 2D NMR spectroscopic data interpretation and chemical conversions All the isolated compounds showed weak cytotoxicity against the A2780 human ovarian cancer cell line.

  DOI：

  10.1021/np0201220

文献信息

• Two New Triterpene Esters from the Twigs of <i>Brachylaena </i><i>r</i><i>amiflora</i> from the Madagascar Rainforest
  作者：V. S. Prakash Chaturvedula、Jennifer K. Schilling、James S. Miller、Rabodo Andriantsiferana、Vincent E. Rasamison、David G. I. Kingston

  DOI：10.1021/np0201220

  日期：2002.8.1

  Bioassay-guided fractionation of a CH2Cl2/MeOH extract of the small twigs of Brachylaena ramiflora var ramiflora resulted in the isolation of the two new triterpene esters I and 2 and five known triterpenoids, alpha amyrin palmitate (3), beta-amyrin palmitate (4), beta-amyrin acetate (5), lupeyl acetate (6), and lupeol (7) The structures of the two new compounds were established as kairatenyl palmitate (1) and hopenyl palmitate (2) on the basis of 1D and 2D NMR spectroscopic data interpretation and chemical conversions All the isolated compounds showed weak cytotoxicity against the A2780 human ovarian cancer cell line.