4β,9β,10α-trihydroxy-1α,5α-H-guaia-6-en | 1426541-22-1

• 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: 4β,9β,10α-trihydroxy-1α,5α-H-guaia-6-en
• 英文别名: (1S,3aR,4S,5S,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4,5-triol
• CAS: 1426541-22-1
• 化学式: C₁₅H₂₆O₃
• 分子量: 254.37
• InChiKey: ZDNJHAINOAXPAM-MRLBHPIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4β,9β-dihydroxy-1α,5α-H-guaia-6,10(14)-dien 生成 4β,9β,10α-trihydroxy-1α,5α-H-guaia-6-en
  参考文献：
  名称：

  Two new guaianolide-type sesquiterpenoids from Kadsura interior

  摘要：

  Two new guaianolide-type sesquiterpenoids, 4 beta,9 beta-dihydroxy-1 alpha,5 alpha-H-guaia-6,10(14)-dien (1) and 4 beta,9 beta,10 alpha-trihydroxy-1 alpha,5 alpha-H-guaia-6-en (2), along with four known sesquiterpenoids (3a, 3b, 4 and 5), were isolated from Kadsura interior. Their structures and configurations were elucidated by spectroscopic methods including 2D-NMR and HR-MS techniques. Compounds 3a and 3b were obtained as a pair of enantiomers, and their structure and absolute configuration were established from their extensive NMR spectra and by single-crystal X-ray analysis. (C) 2013 Jian-Xin Pu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.01.024