| 1430812-70-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1430812-70-6
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: ATTUWERKRXZLMC-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.04
• 重原子数：
  15.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 sodium periodate 、 四氧化锇 、 camphor-10-sulfonic acid 、 水 、 碳酸氢钠 、 戴斯-马丁氧化剂 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 水 、 丙酮 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Total synthesis of virgineone aglycone and stereochemical assignment of natural virgineone

  摘要：

  The first total synthesis of virgineone aglycone has been achieved employing the tandem O-acylationmigration reaction and the olefin cross-metathesis as key steps for fragment couplings. The left-hand segment of virgineone was also synthesized. The absolute configuration of the reported virgineone aglycone was determined to be (2S,7RS,26S) based on NMR analyses and the specific rotation values of the synthetic compounds. The absolute configuration of the natural virgineone was presumed to be (2S,7S,26S) based on NMR analyses of the synthetic virgineone aglycone. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.006
• 作为产物：
  描述：

  tridec-12-enal 在 吡啶-N-氧化物 、 L-脯氨酸 、 sodium tetrahydroborate 、 copper(ll) sulfate pentahydrate 作用下， 以 二氯甲烷 、 乙醇 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Total synthesis of virgineone aglycone and stereochemical assignment of natural virgineone

  摘要：

  The first total synthesis of virgineone aglycone has been achieved employing the tandem O-acylationmigration reaction and the olefin cross-metathesis as key steps for fragment couplings. The left-hand segment of virgineone was also synthesized. The absolute configuration of the reported virgineone aglycone was determined to be (2S,7RS,26S) based on NMR analyses and the specific rotation values of the synthetic compounds. The absolute configuration of the natural virgineone was presumed to be (2S,7S,26S) based on NMR analyses of the synthetic virgineone aglycone. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.006