(1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3-triethylsilyloxy-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-1-ol | 741719-83-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3-triethylsilyloxy-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-1-ol
• CAS: 741719-83-5
• 化学式: C₃₆H₆₆O₃Si₂
• 分子量: 603.089
• InChiKey: WJIMWCINHWTQTN-KIUTYWPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.28
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3-triethylsilyloxy-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-1-ol 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 钙离子透明度36 、 1α,25-(OH)2-lumisterol 、 (1S,5R)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-methyl-5-triethylsilyloxycyclohex-2-en-1-ol
  参考文献：
  名称：

  Selective capture of 1α,25-(OH) 2 -previtamin D 3 utilizing polymer-supported trialkylsilyl triflate in the synthesis of 1α,25-(OH) 2 -vitamin D 3

  摘要：

  Catch and release method utilizing polymer-support was investigated in the separation of 1alpha,25-(OH)(2) pre- and provitamin D-3. Polymer-supported alkyldiisopropylsityl triflate selectively captured the previtamin D-3 from a 26:74 mixture of pre- and provitamin D-3 produced by photoisomerization of provitamin D-3. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.125
• 作为产物：
  描述：

  Toluene-4-sulfonic acid (S)-1-((1S,3R,9S,10R,13S,14R,17S)-1,3-dihydroxy-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethyl ester 在 咪唑 、 copper(I) bromide dimethylsulfide complex 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 (1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-3-triethylsilyloxy-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-1-ol
  参考文献：
  名称：

  Selective capture of 1α,25-(OH) 2 -previtamin D 3 utilizing polymer-supported trialkylsilyl triflate in the synthesis of 1α,25-(OH) 2 -vitamin D 3

  摘要：

  Catch and release method utilizing polymer-support was investigated in the separation of 1alpha,25-(OH)(2) pre- and provitamin D-3. Polymer-supported alkyldiisopropylsityl triflate selectively captured the previtamin D-3 from a 26:74 mixture of pre- and provitamin D-3 produced by photoisomerization of provitamin D-3. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.125