calcaratarin A | 205384-51-6

• 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: calcaratarin A
• 英文别名: (Z)-labda-8(17),12-diene-15,16-dial；8(20),12-Labdadiene-15,16-dial；(2Z)-2-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]butanedial
• CAS: 205384-51-6
• 化学式: C₂₀H₃₀O₂
• 分子量: 302.457
• InChiKey: TZCSIFOYBLPUIF-BNYLVOSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  labda-8(17),12-diene-15,16-diol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 calcaratarin A 、 (E)-labda-8(20),12-diene-15,16-dial
  参考文献：
  名称：

  Synthesis and biological evaluation of (+)-labdadienedial, derivatives and precursors from (+)-sclareolide

  摘要：

  Labdadienedial and a series of C15,C16-functionalized derivatives were synthesized from commercial (+)-sclareolide and evaluated for their cytotoxic, antimycotic, and antiviral activities. Their precursors were similarly evaluated. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.029

文献信息

• Synthesis and biological evaluation of (+)-labdadienedial, derivatives and precursors from (+)-sclareolide
  作者：Miguel A. González、Juan Mancebo-Aracil、Veronica Tangarife-Castaño、Lee Agudelo-Goméz、Bibiana Zapata、Ana Mesa-Arango、Liliana Betancur-Galvis

  DOI：10.1016/j.ejmech.2010.06.029

  日期：2010.9

  Labdadienedial and a series of C15,C16-functionalized derivatives were synthesized from commercial (+)-sclareolide and evaluated for their cytotoxic, antimycotic, and antiviral activities. Their precursors were similarly evaluated. (C) 2010 Elsevier Masson SAS. All rights reserved.