(4S,6S)-6-[(1S)-1-[(3S,5S,8R,9S,10S,13R,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-15-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-propan-2-yloxan-2-one | 733744-42-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4S,6S)-6-[(1S)-1-[(3S,5S,8R,9S,10S,13R,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-15-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-propan-2-yloxan-2-one
• CAS: 733744-42-8
• 化学式: C₄₈H₇₂O₄Si₂
• 分子量: 769.268
• InChiKey: BJQTWMFGWBAFSJ-WLVLGRHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4S,6S)-6-[(1S)-1-[(3S,5S,8R,9S,10S,13R,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-15-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-propan-2-yloxan-2-one 在 二异丁基氢化铝 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.17h， 生成
  参考文献：
  名称：

  Studies towards the total synthesis of contignasterol

  摘要：

  The (17R,20S,22S,24S) C-20-C-29 segment of contignasterol has been stereoselectively prepared in 8 steps and 40% overall yield from (S)-carvone. Synthetic studies towards contignasterol's C/D ring functionalization/isomerization are also reported. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.04.083
• 作为产物：
  描述：

  三甲基氯硅烷 、 (4S,6S)-6-{(S)-1-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-(tert-Butyl-diphenyl-silanyloxy)-10,13-dimethyl-15-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-ethyl}-4-isopropyl-tetrahydro-pyran-2-one 在 六甲基二硅氮烷 、 lithium iodide 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (4S,6S)-6-[(1S)-1-[(3S,5S,8R,9S,10S,13R,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-15-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-propan-2-yloxan-2-one
  参考文献：
  名称：

  Studies towards the total synthesis of contignasterol

  摘要：

  The (17R,20S,22S,24S) C-20-C-29 segment of contignasterol has been stereoselectively prepared in 8 steps and 40% overall yield from (S)-carvone. Synthetic studies towards contignasterol's C/D ring functionalization/isomerization are also reported. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.04.083