10-methyl-heptadecan-1-ol | 2490-11-1

• 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: 10-methyl-heptadecan-1-ol
• 英文别名: 10-Methylheptadecan-1-ol；10-methylheptadecan-1-ol
• CAS: 2490-11-1
• 化学式: C₁₈H₃₈O
• 分子量: 270.499
• InChiKey: LKGLNSMGISRSOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  19
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  penasin C 、 penasin D 、 penasin E 在 臭氧 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.16h， 生成 8-methyl-heptadecan-1-ol 、 10-methyl-heptadecan-1-ol 、 9-Methylheptadecan-1-ol
  参考文献：
  名称：

  Penasins A−E, Long-Chain Cytotoxic Sphingoid Bases, from a Marine Sponge Penares sp

  摘要：

  Five sphingoid bases, penasin A (1), penasin B (2), and a mixture of penasins C-E (3-5), were identified from a marine sponge Penares sp. as cytotoxic constituents. The structure of the common polar head part was assigned by analysis of the NMR data, whereas the structures of the long aliphatic chains including the locations of double bond(s) and a branched methyl group were determined by analysis of tandem FABMS and C-13 NMR data together with the GC-MS analysis of ozonolysis products. The absolute configuration of the headgroup was defined for the mixture of 3-5 by the modified Mosher method. Penasins exhibit moderate cytotoxicity against HeLa and P388 cells.

  DOI：

  10.1021/np1003565

文献信息

• Penasins A−E, Long-Chain Cytotoxic Sphingoid Bases, from a Marine Sponge <i>Penares</i> sp
  作者：Hideki Ando、Reiko Ueoka、Shigeru Okada、Tsuyoshi Fujita、Takashi Iwashita、Takaaki Imai、Tomoya Yokoyama、Yuji Matsumoto、Rob W. M. van Soest、Shigeki Matsunaga

  DOI：10.1021/np1003565

  日期：2010.11.29

  Five sphingoid bases, penasin A (1), penasin B (2), and a mixture of penasins C-E (3-5), were identified from a marine sponge Penares sp. as cytotoxic constituents. The structure of the common polar head part was assigned by analysis of the NMR data, whereas the structures of the long aliphatic chains including the locations of double bond(s) and a branched methyl group were determined by analysis of tandem FABMS and C-13 NMR data together with the GC-MS analysis of ozonolysis products. The absolute configuration of the headgroup was defined for the mixture of 3-5 by the modified Mosher method. Penasins exhibit moderate cytotoxicity against HeLa and P388 cells.