onchitriol II B | 142132-15-8

• 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: onchitriol II B
• 英文别名: [(E,2R,3R,4S,5S,8R)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-5-hydroxy-8-[6-[(2S,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl]-4,6-dimethylnon-6-en-3-yl] propanoate
• CAS: 142132-15-8
• 化学式: C₃₅H₅₂O₈
• 分子量: 600.793
• InChiKey: QYJDDAAMSQNGKS-IVAMFAJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  onchitriol II B 在 氢氧化钾 、 对甲苯磺酸 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 24.0h， 生成 onchitriol II dioxolane
  参考文献：
  名称：

  The natural polypropionate-derived esters of the mollusk Onchidium sp

  摘要：

  Eight new polypropionate-derived esters (5-8 and 10-13) have been isolated from pulmonate molluscs of the genus Onchidium collected in the South Pacific. The structures of these compounds were determined spectroscopically in particular by one- and two-dimensional NMR and low and high EIMS. The absolute of the seven asymmetric centers was determined by using the Trost-Mosher methodology. Saponification afforded two triols named onchitriol I and II (4 and 9, respectively). Compounds 4-13 displayed in vitro antitumor activity against several cell lines. Onchitriol I and II had antiviral activity also.

  DOI：

  10.1021/jo00043a018

文献信息

• The natural polypropionate-derived esters of the mollusk Onchidium sp
  作者：Jaime Rodriguez、Ricardo Riguera、Cecile Debitus

  DOI：10.1021/jo00043a018

  日期：1992.8

  Eight new polypropionate-derived esters (5-8 and 10-13) have been isolated from pulmonate molluscs of the genus Onchidium collected in the South Pacific. The structures of these compounds were determined spectroscopically in particular by one- and two-dimensional NMR and low and high EIMS. The absolute of the seven asymmetric centers was determined by using the Trost-Mosher methodology. Saponification afforded two triols named onchitriol I and II (4 and 9, respectively). Compounds 4-13 displayed in vitro antitumor activity against several cell lines. Onchitriol I and II had antiviral activity also.