3β,21-diacetoxy-11β-hydroxy-5α-pregnan-20-one | 6003-21-0

• 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: 3β,21-diacetoxy-11β-hydroxy-5α-pregnan-20-one
• 英文别名: 3β,21-Diacetoxy-11β-hydroxy-5α-pregnan-20-on；11β-Hydroxy-3β.21-diacetoxy-5α-pregnanon-(20)；Allopregnane-3beta,11beta,21-triol-20-one 3,21-diacetate；[2-[(3S,5S,8S,9S,10S,11S,13S,14S,17S)-3-acetyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• CAS: 6003-21-0
• 化学式: C₂₅H₃₈O₆
• 分子量: 434.573
• InChiKey: WBZYOPMJAOANPU-HNOHUYCESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3β,21-diacetoxy-11β-hydroxy-5α-pregnan-20-one 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 3β,21-diacetoxy-5α-pregnane-11,20-dione
  参考文献：
  名称：

  关于肾上腺皮质的成分。21.沟通。物质R和S的组成

  摘要：

  DOI：

  10.1002/hlca.193802101183
• 作为产物：
  描述：

  2-((5S,8S,9S,10S,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate 在 1,4-二氧六环 、 吡啶 、 镍 作用下， 生成 3β,21-diacetoxy-11β-hydroxy-5α-pregnan-20-one
  参考文献：
  名称：

  Pataki et al., Journal of Biological Chemistry, 1952, vol. 195, p. 751,753

  摘要：

  DOI：

文献信息

• Über Bestandteile der Nebennierenrinde. 20. Mitteilung. Isolierung der Substanzen Q (Desoxy-corticosteron0) und R sowie weiterer Stoffe
  作者：T. Reichstein、J. v. Euw

  DOI：10.1002/hlca.193802101149

  日期：——
• Head elevation reduces head-rotation associated increased ICP in patients with intracranial tumours
  作者：Orlando R. Hung、Gregory M. T. Hare、Susan Brien

  DOI：10.1007/bf03018970

  日期：2000.5

  Purpose: To quantify the effects of graded head rotation and elevation on intracranial pressure (ICP) in neurosurgical patients, before and after induction of general anesthesia.Methods: Patients with supratentorial tumours (n = 12), scheduled for craniotomy with planned ICP monitoring, underwent baseline ICP measurements awake and supine (0 degrees rotation and elevation). Incremental degrees of head rotation (15 degrees) and of head elevation (10 degrees) were performed independently and in combination. Paired measurements of ICP at all levels of head rotation and elevation were also performed before and after induction of general anesthesia (n=6).Results: The baseline ICP was 12.3 +/- 6.4 mmHg (n = 12). Changes of ICP were proportional to the degree of head rotation or elevation. Head rotation of 60 degrees maximally increased ICP to 24.8 +/- 14.3 mmHg (P < 0.05). Head elevation above 20 degrees reduced ICP, with a maximal reduction to 0.2 +/- 5.5 mmHg at 40 degrees elevation (P < 0.01). Head elevation to 30 degrees reduced the intracranial hypertension associated with head rotation. No differences were observed between ICP measurements made before or after induction of general anesthesia (n=6). Three patients experienced headache with extreme head rotation (<60 degrees) and intracranial hypertension (ICP > 20 mmHg).Conclusion: Head rotation of 60 degrees caused an increase in ICP. Concomitant head elevation to 30 degrees reduced the intracranial hypertension associated with head rotation. Headache with head rotation may provide a useful clinical warning of elevated ICP.