(3S,8S,9S,10R,13S,14S,16S,17R)-3-(tert-Butyl-diphenyl-silanyloxy)-17-((S)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol | 151534-44-0

• 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: (3S,8S,9S,10R,13S,14S,16S,17R)-3-(tert-Butyl-diphenyl-silanyloxy)-17-((S)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
• CAS: 151534-44-0
• 化学式: C₄₃H₆₂O₃Si
• 分子量: 655.049
• InChiKey: XDSGBSWHCMNHJD-YNMNGIHZSA-N

物化性质

• 沸点：
  692.1±55.0 °C(predicted)
• 密度：
  1.08±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.98
• 重原子数：
  47.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  49.69
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3S,8S,9S,10R,13S,14S,16S,17R)-3-(tert-Butyl-diphenyl-silanyloxy)-17-((S)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol 在 吡啶 、 叔丁基过氧化氢 、 bis(acetylacetonate)oxovanadium 作用下， 以 二氯甲烷 为溶剂， 反应 96.0h， 生成 [(3S,8S,9S,10R,13S,14S,16S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
  参考文献：
  名称：

  Hemisynthesis of (20S,24R)-20,24-epoxy-3β,16β,25-trihydroxy-6-oxo-5α-cholestane 16-acetate from diosgenin

  摘要：

  The title compound which was isolated as its 3beta-sophoroside from the defensive secretion of Chrysomela varians (Coleoptera: Chrysomelidae) has been synthesized from diosgenin ih 8 steps.

  DOI：

  10.1016/s0040-4020(01)81873-1
• 作为产物：
  描述：

  Acetic acid (S)-4-[(2S,4aR,4bS,6aS,6bS,9aS,10aS,10bS)-2-(tert-butyl-diphenyl-silanyloxy)-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-9-oxa-pentaleno[2,1-a]phenanthren-8-yl]-2-methyl-butyl ester 在 chromium(VI) oxide 、 magnesium 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 生成 (3S,8S,9S,10R,13S,14S,16S,17R)-3-(tert-Butyl-diphenyl-silanyloxy)-17-((S)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
  参考文献：
  名称：

  Hemisynthesis of (20S,24R)-20,24-epoxy-3β,16β,25-trihydroxy-6-oxo-5α-cholestane 16-acetate from diosgenin

  摘要：

  The title compound which was isolated as its 3beta-sophoroside from the defensive secretion of Chrysomela varians (Coleoptera: Chrysomelidae) has been synthesized from diosgenin ih 8 steps.

  DOI：

  10.1016/s0040-4020(01)81873-1