(4S,6S)-6-{(S)-1-[(3S,5S,8R,9S,10S,13S,14S)-3-(tert-Butyl-diphenyl-silanyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-ethyl}-4-isopropyl-tetrahydro-pyran-2-one | 733744-35-9

• 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: (4S,6S)-6-{(S)-1-[(3S,5S,8R,9S,10S,13S,14S)-3-(tert-Butyl-diphenyl-silanyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-ethyl}-4-isopropyl-tetrahydro-pyran-2-one
• 英文别名: (4S,6S)-6-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-propan-2-yloxan-2-one
• CAS: 733744-35-9
• 化学式: C₄₅H₆₄O₃Si
• 分子量: 681.087
• InChiKey: VVDBAXAWGHZHKL-NLSXSWOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.12
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4S,6S)-6-{(S)-1-[(3S,5S,8R,9S,10S,13S,14S)-3-(tert-Butyl-diphenyl-silanyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-ethyl}-4-isopropyl-tetrahydro-pyran-2-one 在 platinum on activated charcoal 3,5-二甲基吡唑 、 chromium(VI) oxide 、 氢气 、 二异丁基氢化铝 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 4.0h， 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：

  (S)-3-Isopropyl-5,6-dioxo-heptanal 在 双(乙腈)氯化钯(II) 、 sodium periodate 、 水 、 二甲基氯化铝 、 对甲苯磺酸 作用下， 以 甲醇 、 正己烷 、 二氯甲烷 、 丙酮 为溶剂， 反应 4.0h， 生成 (4S,6S)-6-{(S)-1-[(3S,5S,8R,9S,10S,13S,14S)-3-(tert-Butyl-diphenyl-silanyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-ethyl}-4-isopropyl-tetrahydro-pyran-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