6β,17β-diacetoxyandrost-4-en-3-one | 2098-52-4

• 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: 6β,17β-diacetoxyandrost-4-en-3-one
• 英文别名: 6β,17β-diacetoxy-androst-4-en-3-one；6β,17β-Diacetoxy-androst-4-en-3-on；Δ⁴-Androsten-6β,17β-diol-3-on-diacetat；6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate；[(6R,8R,9S,10R,13S,14S,17S)-6-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
• CAS: 2098-52-4；4223-41-0；4223-42-1；114178-88-0；2098-51-3
• 化学式: C₂₃H₃₂O₅
• 分子量: 388.504
• InChiKey: UIYVZBDIGKEIAK-XZUVIMIXSA-N

物化性质

• 熔点：
  217-231 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  489.2±45.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6β,17β-diacetoxyandrost-4-en-3-one 在 sodium tetrahydroborate 作用下， 生成 6β,17β-Diacetoxy-3β-hydroxy-androst-4-en
  参考文献：
  名称：

  Baldwin; Hanson; Holtom, Journal of the Chemical Society. Perkin transactions I, 1973, vol. 16, p. 1704 - 1707

  摘要：

  DOI：
• 作为产物：
  描述：

  3-Ethoxy-2β-chlor-androsta-3,5-dien-17β-ol-acetat 在 吡啶 、 silver fluoride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 6β,17β-diacetoxyandrost-4-en-3-one
  参考文献：
  名称：

  Mancini,F.; Sciaky,R., Gazzetta Chimica Italiana, 1967, vol. 97, p. 431 - 441

  摘要：

  DOI：

文献信息

• Synthesis of a novel class of steroidal tetrazolo[1,5-a]pyridines via intramolecular 1,3-dipolar cycloadditions
  作者：Junali Gogoi、Pranjal Bezbaruah、Pallabi Saikia、Jonalee Goswami、Pranjal Gogoi、Romesh Chandra Boruah

  DOI：10.1016/j.tetlet.2012.01.050

  日期：2012.3

  A facile synthesis of a novel class of steroidal A/B/D-ring annulated tetrazolo[1,5-a]pyridine derivatives has been accomplished via intramolecular 1,3-dipolar cycloaddition reaction of azide with nitrile in aprotic solvent. The synthesis of D-ring annulated tetrazolo[1,5-a]pyridine in alcohol showed incorporation of an alcohol molecule into the heterocyclic system.

  通过在质子惰性溶剂中叠氮化物与腈的分子内1,3-偶极环加成反应，可以轻松合成新型的类固醇A / B / D环环状四唑[1,5-a]吡啶衍生物。在醇中D环环化的四唑并[1,5-a]吡啶的合成显示了将醇分子掺入杂环系统中。
• May, George L.; Pinhey, John T., Australian Journal of Chemistry, 1982, vol. 35, # 9, p. 1859 - 1871
  作者：May, George L.、Pinhey, John T.

  DOI：——

  日期：——
• Steroid transformations with Fusarium oxysporum var. cubense and Colletotrichum musae
  作者：Maureen R Wilson、Winklet A Gallimore、Paul B Reese

  DOI：10.1016/s0039-128x(99)00067-7

  日期：1999.12

  The utility of two locally isolated fungi, pathogenic to banana, for steroid biotransformation has been studied. The deuteromycetes Fusarium oxysporum var, cubense (IMI 326069, UAMH 9013) and Colletotrichum musae (IMI 374528, UAMH 8929) had not been examined previously for this potential. In general, F. oxysporum var, cubense effected 7 alpha hydroxylation on 3 beta-hydroxy-Delta(5)-steroids, 6 beta, 12 beta, and 15 alpha hydroxylation on steroidal-4-ene-3-ones, side-chain degradation on 17 alpha,21-dihydroxypregnene-3,20-diones, and 15 alpha hydroxylation on estrone. Both strains were shown to perform redox reactions on alcohols and ketones. (C) 1999 Elsevier Science Inc. All rights reserved.
• MAY, G. L.;PINHEY, J. T., AUSTRAL. J. CHEM., 1982, 35, N 9, 1859-1871
  作者：MAY, G. L.、PINHEY, J. T.

  DOI：——

  日期：——
• Baldwin; Hanson; Holtom, Journal of the Chemical Society. Perkin transactions I, 1973, vol. 16, p. 1704 - 1707
  作者：Baldwin、Hanson、Holtom

  DOI：——

  日期：——