mulin-11,13-dien-20-oic acid n-butyl ester | 1251850-32-4

• 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: mulin-11,13-dien-20-oic acid n-butyl ester
• 英文别名: butyl (3R,3aS,5aS,10aS,10bS)-5a,8-dimethyl-3-propan-2-yl-1,2,3,4,5,6,10a,10b-octahydrocyclohepta[g]indene-3a-carboxylate
• CAS: 1251850-32-4
• 化学式: C₂₄H₃₈O₂
• 分子量: 358.565
• InChiKey: KJYFJWYLMZRFMJ-OWDINHDYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-碘丁烷 、 mulin-11,13-dien-20-oic acid 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 以98%的产率得到mulin-11,13-dien-20-oic acid n-butyl ester
  参考文献：
  名称：

  Antituberculosis activity of alkylated mulinane diterpenoids

  摘要：

  Natural azorellane and mulinane diterpenoids show antituberculosis activity, which is increased by methylation of their free carboxyl group. We have systematically investigated the effect of alkylation in this class of diterpenoids and found that the profile of bioactivity is relatively unaffected by the introduction of short alkyl groups, both linear and branched In this investigation. three semisynthetic diterpenoids, 13 hydroxy-mulin-11-en-20-oic acid n-propyl ester (3) and the n-propyl (19) and n-butyl (20) esters of isomulinic acid, showed the strongest antituberculosis activity (MIC = 6 25 mu g/mL) against a drug-resistant strain of Mycobacterium tuberculosis (C) 2009 Elsevier B V. All rights reserved

  DOI：

  10.1016/j.fitote.2009.09.006