Trunculin D methyl ester | 132410-36-7

• 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: Trunculin D methyl ester
• 英文别名: methyl (2R)-2-[(3R,6R)-6-methyl-6-[(1R,2S,4S,6S,7R,11S)-2,6,7,11-tetramethyl-3,12,13-trioxatetracyclo[9.2.2.01,9.02,6]pentadec-9-en-4-yl]dioxan-3-yl]propanoate
• CAS: 132410-36-7
• 化学式: C₂₅H₃₈O₇
• 分子量: 450.573
• InChiKey: WRMNWGSPQJHCTP-SXTNATFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  72.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Trunculin D methyl ester 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 0.67h， 以2.8 mg的产率得到Trunculin C methyl ester
  参考文献：
  名称：

  Norsesterterpene peroxides from the sponge Latrunculia sp

  摘要：

  A specimen of the sponge Latrunculia sp. from Jervis Bay, Australia, contained three new norsesterterpene peroxides, trunculin C methyl ester (3), trunculin D methyl ester (4), and trunculin E (5). The structure of trunculin C methyl ester (3) was determined by X-ray analysis, and the absolute configuration was established by application of the Horeau method to the diol 7. The structures of trunculin D methyl ester (4) and trunculin E (5) were elucidated by interpretation of spectral data, by chemical interconversion, and by using a biosynthetic hypothesis. Trunculin C methyl ester (3) and trunculin D methyl ester (4) have a novel carbon skeleton.

  DOI：

  10.1021/jo00006a028