12-deacetylscalaradial | 77282-60-1

• 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: 12-deacetylscalaradial
• 英文别名: Desacetylscalaradial；(1R,4aS,4bR,6aS,10aS,10bR,12S,12aS)-12-hydroxy-4b,7,7,10a,12a-pentamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-1,2-dicarbaldehyde
• CAS: 77282-60-1
• 化学式: C₂₅H₃₈O₃
• 分子量: 386.575
• InChiKey: RZKMKRDUWZVLSO-MQHLBGOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  12-deacetylscalaradial 在 重铬酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以4.5 mg的产率得到12-deacetoxy-12-oxo-scalaradial
  参考文献：
  名称：

  Scalarane Metabolites of the Nudibranch Glossodoris rufomarginata and Its Dietary Sponge from the South China Sea

  摘要：

  Chemical investigation of the nudibranch Glossodoris rufomarginata and its sponge prey provided additional evidence of the trophic relationship between Glossodoris nudibranchs and scalarane-containing sponges. Scalaradial (1) and its deacetyl derivative 2 were found to be the main components of the extract of the sponge, whereas a series of related scalaranes (3-7), probably derived from dietary scalaradial, were isolated from the mollusk. Two new scalarane sesterterpenes (5 and 6), exhibiting a keto functionalization at C-12, were characterized by spectroscopic methods and chemical correlations.

  DOI：

  10.1021/np040087s

文献信息

• Scalarane Metabolites of the Nudibranch <i>Glossodoris rufomarginata</i> and Its Dietary Sponge from the South China Sea
  作者：Margherita Gavagnin、Ernesto Mollo、Teresa Docimo、Yue-Wei Guo、Guido Cimino

  DOI：10.1021/np040087s

  日期：2004.12.1

  Chemical investigation of the nudibranch Glossodoris rufomarginata and its sponge prey provided additional evidence of the trophic relationship between Glossodoris nudibranchs and scalarane-containing sponges. Scalaradial (1) and its deacetyl derivative 2 were found to be the main components of the extract of the sponge, whereas a series of related scalaranes (3-7), probably derived from dietary scalaradial, were isolated from the mollusk. Two new scalarane sesterterpenes (5 and 6), exhibiting a keto functionalization at C-12, were characterized by spectroscopic methods and chemical correlations.