[(1S,5S,6R,7S,11R,13R,16S)-7-hydroxy-11,15,18,18-tetramethyl-13,16-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-3,8,12-trioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate | 1188021-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [(1S,5S,6R,7S,11R,13R,16S)-7-hydroxy-11,15,18,18-tetramethyl-13,16-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-3,8,12-trioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate
• CAS: 1188021-14-8
• 化学式: C₃₃H₄₆O₁₄
• 分子量: 666.72
• InChiKey: GZOAKRTUDMOSRX-SDJYXVFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  187
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  [(1S,5S,6R,7S,11R,13R,16S)-7-hydroxy-11,15,18,18-tetramethyl-13,16-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-3,8,12-trioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate 在 platinum(IV) oxide 、 氢气 、 三乙胺 作用下， 以 乙醇 、 水 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以95%的产率得到[(1S,5S,6R,7S,8S,11R,13R,16S)-7,8-dihydroxy-11,15,18,18-tetramethyl-13,16-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-3,12-dioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate
  参考文献：
  名称：

  Platinum–triethylamine-catalyzed hydrogenation of aldehydes and cyclohexanones

  摘要：

  The first hydrogenation of aldehydes and chemoselective hydrogenation of cyclohexanones catalyzed by PtO2-Et3N are presented. An additionally attractive feature of this hydrogenation is being applicable to the complicated molecules. Three equivalent of triethylamine and 0.05 equiv Of PtO2 in 95% ethanol are found to be the optimal condition. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.006
• 作为产物：
  描述：

  [(1S,5S,6R,7S,11R,13R,16S)-7-hydroxy-11,15,18,18-tetramethyl-13,16-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-3,8,12-trioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadeca-9,14-dien-7-yl]methyl acetate 在 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以95%的产率得到[(1S,5S,6R,7S,11R,13R,16S)-7-hydroxy-11,15,18,18-tetramethyl-13,16-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-3,8,12-trioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate
  参考文献：
  名称：

  Platinum–triethylamine-catalyzed hydrogenation of aldehydes and cyclohexanones

  摘要：

  The first hydrogenation of aldehydes and chemoselective hydrogenation of cyclohexanones catalyzed by PtO2-Et3N are presented. An additionally attractive feature of this hydrogenation is being applicable to the complicated molecules. Three equivalent of triethylamine and 0.05 equiv Of PtO2 in 95% ethanol are found to be the optimal condition. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.006