obtusal A

• 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: obtusal A
• 英文别名: (3S,6E)-8-formyl-3,7-dimethyloct-6-en-1-yl (3S,6E)-8-formyl-3,7-dimethyloct-6-en-1-oate；[(E,3S)-3,7-dimethyl-8-oxooct-6-enyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
• 化学式: C₂₀H₃₂O₄
• 分子量: 336.472
• InChiKey: SOBOYKNHEAFZOH-FUXIIWMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-(-)-香茅酸 在 selenium(IV) oxide 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 28.0h， 生成 obtusal A
  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.