7-oxo-ent-atiser-16-en-19-oic acid | 1241951-44-9

• 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: 7-oxo-ent-atiser-16-en-19-oic acid
• 英文别名: 7-oxo-ent-atis-16-en-19-oic acid；(1R,4S,5R,9S,10S,12S)-5,9-dimethyl-13-methylidene-2-oxotetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
• CAS: 1241951-44-9
• 化学式: C₂₀H₂₈O₃
• 分子量: 316.441
• InChiKey: CLPVNYMREIMKFG-ITWPWFMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  7-oxo-ent-atiser-16-en-19-oic acid 在 硝酸铵 、 manganese(II) sulfate 、 potassium dihydrogenphosphate 、 ammonium molybdate 、 葡萄糖 、 AMO 1618 、 magnesium sulfate 、 copper(II) sulfate 、 cobalt(II) nitrate 、 zinc(II) sulfate 作用下， 以 乙醇 、 水 为溶剂， 反应 144.0h， 以8 mg的产率得到6β-hydroxy-7-oxo-ent-atis-16-en-19-oic acid
  参考文献：
  名称：

  Biotransformation of 7α-hydroxy- and 7-oxo-ent-atis-16-ene derivatives by the fungus Gibberella fujikuroi

  摘要：

  The microbiological transformation of 7 alpha,19-dihydroxy-ent-atis-16-ene by the fungus Gibberella fujikuroi gave 19-hydroxy-7-oxo-ent-atis-16-ene, 13(R),19-dihydroxy-7-oxo-ent-atis-16-ene, 7 alpha,11 beta,19-trihydroxy-ent-atis-16-ene and 7 alpha,16 beta,19-trihydroxy-ent-atis-16-ene, while the incubation of 19-hydroxy-7-oxo-ent-atis-16-ene afforded 13(R),19-dihydroxy-7-oxo-ent-atis-16-ene and 16 beta,17-dihydroxy-7-oxo-ent-atisan-19-al. The biotransformation of 7-oxo-ent-atis-16-en-19-oic acid gave 6 beta-hydroxy-7-oxo-ent-atis-16-en-19-oic acid, 6 beta,16 beta,17-trihydroxy-7-oxo-19-nor-ent-atis-4(18)-ene and 3 beta,7 alpha-dihydroxy-6-oxo-ent-atis-16-en-19-oic acid. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2010.04.024
• 作为产物：
  描述：

  (7S)-7-hydroxy-ent-atiser-16-en-19-oic acid 在 Jones reagent 作用下， 以 丙酮 为溶剂， 以230 mg的产率得到7-oxo-ent-atiser-16-en-19-oic acid
  参考文献：
  名称：

  Biotransformation of 7α-hydroxy- and 7-oxo-ent-atis-16-ene derivatives by the fungus Gibberella fujikuroi

  摘要：

  The microbiological transformation of 7 alpha,19-dihydroxy-ent-atis-16-ene by the fungus Gibberella fujikuroi gave 19-hydroxy-7-oxo-ent-atis-16-ene, 13(R),19-dihydroxy-7-oxo-ent-atis-16-ene, 7 alpha,11 beta,19-trihydroxy-ent-atis-16-ene and 7 alpha,16 beta,19-trihydroxy-ent-atis-16-ene, while the incubation of 19-hydroxy-7-oxo-ent-atis-16-ene afforded 13(R),19-dihydroxy-7-oxo-ent-atis-16-ene and 16 beta,17-dihydroxy-7-oxo-ent-atisan-19-al. The biotransformation of 7-oxo-ent-atis-16-en-19-oic acid gave 6 beta-hydroxy-7-oxo-ent-atis-16-en-19-oic acid, 6 beta,16 beta,17-trihydroxy-7-oxo-19-nor-ent-atis-4(18)-ene and 3 beta,7 alpha-dihydroxy-6-oxo-ent-atis-16-en-19-oic acid. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2010.04.024

文献信息

• Biotransformation of 7α-hydroxy- and 7-oxo-ent-atis-16-ene derivatives by the fungus Gibberella fujikuroi
  作者：Braulio M. Fraga、Pedro Gonzalez、Victoria Gonzalez-Vallejo、Ricardo Guillermo、Luz N. Diaz

  DOI：10.1016/j.phytochem.2010.04.024

  日期：2010.8

  The microbiological transformation of 7 alpha,19-dihydroxy-ent-atis-16-ene by the fungus Gibberella fujikuroi gave 19-hydroxy-7-oxo-ent-atis-16-ene, 13(R),19-dihydroxy-7-oxo-ent-atis-16-ene, 7 alpha,11 beta,19-trihydroxy-ent-atis-16-ene and 7 alpha,16 beta,19-trihydroxy-ent-atis-16-ene, while the incubation of 19-hydroxy-7-oxo-ent-atis-16-ene afforded 13(R),19-dihydroxy-7-oxo-ent-atis-16-ene and 16 beta,17-dihydroxy-7-oxo-ent-atisan-19-al. The biotransformation of 7-oxo-ent-atis-16-en-19-oic acid gave 6 beta-hydroxy-7-oxo-ent-atis-16-en-19-oic acid, 6 beta,16 beta,17-trihydroxy-7-oxo-19-nor-ent-atis-4(18)-ene and 3 beta,7 alpha-dihydroxy-6-oxo-ent-atis-16-en-19-oic acid. (C) 2010 Elsevier Ltd. All rights reserved.