2-deacetoxy-7,9,10-trideacetyltaxinine J | 343970-08-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-deacetoxy-7,9,10-trideacetyltaxinine J
• CAS: 343970-08-1
• 化学式: C₃₁H₄₀O₇
• 分子量: 524.654
• InChiKey: SUOAMCQFUXSSLT-YAMDJQOESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  38.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  113.29
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-deacetoxy-7,9,10-trideacetyltaxinine J 在 Cunninghamella elegans var chibaensis ATCC 20230 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 以6%的产率得到2-deacetoxy-7,9,10-trideacetyl-17-hydroxy-taxinine
  参考文献：
  名称：

  Biotransformation of a 4(20),11(12)-taxadiene derivative

  摘要：

  A 4(20),11(12)-taxadiene derivative was converted to hydroxylated derivatives by Cunninghamella elegans AS3.2033 and Cunninghamella elegans var chibaensis ATCC 20230. Both microorganisms led to C-1 hydroxylations and conversion to a C-15-hydroxylated abeo-taxane. Additional products from the two fungi differed: a C-14 oxidation and a trans-cis isomerization of the cinnamoyl for one and an unprecedented hydroxylation at C-17 for the other. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00299-6
• 作为产物：
  描述：

  2-去乙酞氧基紫杉素J 在 barium dihydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 14.0h， 以69%的产率得到2-deacetoxy-7,9,10-trideacetyltaxinine J
  参考文献：
  名称：

  Biotransformation of a 4(20),11(12)-taxadiene derivative

  摘要：

  A 4(20),11(12)-taxadiene derivative was converted to hydroxylated derivatives by Cunninghamella elegans AS3.2033 and Cunninghamella elegans var chibaensis ATCC 20230. Both microorganisms led to C-1 hydroxylations and conversion to a C-15-hydroxylated abeo-taxane. Additional products from the two fungi differed: a C-14 oxidation and a trans-cis isomerization of the cinnamoyl for one and an unprecedented hydroxylation at C-17 for the other. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00299-6