obtusal B

• 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: obtusal B
• 英文别名: (1R,2S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (3S,6E)-8-formyl-3,7-dimethyloct-6-en-1-oate；[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
• 化学式: C₂₀H₃₂O₃
• 分子量: 320.472
• InChiKey: KTMRENYEKLIDBV-GGGDOAPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (S)-(-)-香茅酸 在 selenium(IV) oxide 、 氯化亚砜 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 obtusal B
  参考文献：
  名称：

  摘要：

  Two dimeric monoterpenes obtusal A and B, and two dimeric diterpenes obtusanol A and 13, along with (-)-(S)-citronellol, (-)-(S)-citronellic acid, (+)-borneol, (+)-sugiol, and (-)-6.12-dihydroxyabieta-5,8,11,13-tetraen-7-one, have been isolated from the heartwood of Chamaecyparis obtusa var. formosana and were characterized by spectroscopic means, including 2D-NMR techniques and chemical methods. Synthesis of obtusal (-)- A and (+)-obtusal B were carried out.

  DOI：

  10.1002/1522-2675(200209)85:9<2657::aid-hlca2657>3.0.co;2-b

文献信息

• ——
  作者：Yuch-Hsiung Kuo、Chia-Hsien Chen、Yung-Shung Wein

  DOI：10.1002/1522-2675(200209)85:9<2657::aid-hlca2657>3.0.co;2-b

  日期：2002.9

  Two dimeric monoterpenes obtusal A and B, and two dimeric diterpenes obtusanol A and 13, along with (-)-(S)-citronellol, (-)-(S)-citronellic acid, (+)-borneol, (+)-sugiol, and (-)-6.12-dihydroxyabieta-5,8,11,13-tetraen-7-one, have been isolated from the heartwood of Chamaecyparis obtusa var. formosana and were characterized by spectroscopic means, including 2D-NMR techniques and chemical methods. Synthesis of obtusal (-)- A and (+)-obtusal B were carried out.