[(3aR,4R,5R,5aS,6S,8S,9aR,10aS)-4,5-diacetyloxy-8-hydroxy-3,5a-dimethyl-9-methylidene-3a-prop-1-en-2-yl-4,5,6,7,8,9a,10,10a-octahydro-1H-benzo[f]azulen-6-yl] acetate | 1221188-69-7

• 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: [(3aR,4R,5R,5aS,6S,8S,9aR,10aS)-4,5-diacetyloxy-8-hydroxy-3,5a-dimethyl-9-methylidene-3a-prop-1-en-2-yl-4,5,6,7,8,9a,10,10a-octahydro-1H-benzo[f]azulen-6-yl] acetate
• CAS: 1221188-69-7
• 化学式: C₂₆H₃₆O₇
• 分子量: 460.568
• InChiKey: HEOSXXGMTOBJNC-ROLKCJPYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-去乙酰氧-5Α-羟基紫杉宁J 在 三氟化硼乙醚 作用下， 以 1,4-二氧六环 为溶剂， 以74%的产率得到[(3aR,4R,5R,5aS,6S,8S,9aR,10aS)-4,5-diacetyloxy-8-hydroxy-3,5a-dimethyl-9-methylidene-3a-prop-1-en-2-yl-4,5,6,7,8,9a,10,10a-octahydro-1H-benzo[f]azulen-6-yl] acetate
  参考文献：
  名称：

  An Unprecedented Biogenetic-Type Chemical Synthesis of 1(15→11) Abeotaxanes from Normal Taxanes

  摘要：

  A one-pot chemical process using BF(3)center dot Et(2)O for the synthesis of a new class of 1(15 -> 11) abeotaxanes from normal taxanes has been developed. The chemical structures of rearranged 1(15 -> 11) abeotaxane were established by extensive 2D NMR spectroscopic data.

  DOI：

  10.1021/np900722j

文献信息

• An Unprecedented Biogenetic-Type Chemical Synthesis of 1(15→11) Abeotaxanes from Normal Taxanes
  作者：T. Narender、K. Papi Reddy、V. K. Singh、K. Rajendar、J. Sarkar

  DOI：10.1021/np900722j

  日期：2010.4.23

  A one-pot chemical process using BF(3)center dot Et(2)O for the synthesis of a new class of 1(15 -> 11) abeotaxanes from normal taxanes has been developed. The chemical structures of rearranged 1(15 -> 11) abeotaxane were established by extensive 2D NMR spectroscopic data.