(3S,10S,13R,20S,27R,30S,32R,40S)-36-chloro-10,11-dimethyl-27-propan-2-yl-32-triethylsilyloxy-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33(38),34,36-triene-2,9,12,19,26,29-hexone | 1320360-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (3S,10S,13R,20S,27R,30S,32R,40S)-36-chloro-10,11-dimethyl-27-propan-2-yl-32-triethylsilyloxy-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33(38),34,36-triene-2,9,12,19,26,29-hexone
• CAS: 1320360-32-4
• 化学式: C₄₁H₆₃ClN₁₀O₇Si
• 分子量: 871.553
• InChiKey: ARWGRNUSAZZTES-HJJGATRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  188
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (3S,10S,13R,20S,27R,30S,32R,40S)-36-chloro-10,11-dimethyl-27-propan-2-yl-32-triethylsilyloxy-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33(38),34,36-triene-2,9,12,19,26,29-hexone 在 吡啶 、 氢氟酸 、 水 作用下， 以 乙腈 为溶剂， 以91%的产率得到34-epi-NW-G01
  参考文献：
  名称：

  Total Synthesis of NW-G01, a Cyclic Hexapeptide Antibiotic, and 34-epi-NW-G01

  摘要：

  NW-G01, a cyclic hezapeptide antibiotic, and 34-epi-NW-G01 were synthesized by the highly stereoselective convergent approach for the first time, thereby unambiguously determining the absolute structure of NW-G01.

  DOI：

  10.1021/ol201912w
• 作为产物：
  描述：

  2-allyl 1,8-di-(tert-butyl) (2S,3aR,8aR)-6-chloro-3a-hydroxy-2,3,3a,8a-tetrahydropyrrolo[2,3-b]indole-1,2,8-tricarboxylate 在 2,6-二甲基吡啶 、 四(三苯基膦)钯 、 N-羟基-7-氮杂苯并三氮唑 、 二异丙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 N-甲基苯胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 18.0h， 生成 (3S,10S,13R,20S,27R,30S,32R,40S)-36-chloro-10,11-dimethyl-27-propan-2-yl-32-triethylsilyloxy-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33(38),34,36-triene-2,9,12,19,26,29-hexone
  参考文献：
  名称：

  Total Synthesis of NW-G01, a Cyclic Hexapeptide Antibiotic, and 34-epi-NW-G01

  摘要：

  NW-G01, a cyclic hezapeptide antibiotic, and 34-epi-NW-G01 were synthesized by the highly stereoselective convergent approach for the first time, thereby unambiguously determining the absolute structure of NW-G01.

  DOI：

  10.1021/ol201912w

文献信息

• Total Synthesis of NW-G01, a Cyclic Hexapeptide Antibiotic, and 34-epi-NW-G01
  作者：Setsuya Shibahara、Takaaki Matsubara、Keisuke Takahashi、Jun Ishihara、Susumi Hatakeyama

  DOI：10.1021/ol201912w

  日期：2011.9.2

  NW-G01, a cyclic hezapeptide antibiotic, and 34-epi-NW-G01 were synthesized by the highly stereoselective convergent approach for the first time, thereby unambiguously determining the absolute structure of NW-G01.