pyrocalcyferyl acetate | 1108-03-8

• 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: pyrocalcyferyl acetate
• 英文别名: acetic acid-(10α-ergosta-5,7,22t-trien-3β-yl ester)；Essigsaeure-(10α-ergosta-5,7,22t-trien-3β-ylester)；O-Acetyl-pyrocalciferol；3β-Acetoxy-10α-ergostatrien-(5.7.22t)；(10S)-3t-Acetoxy-10r.13t-dimethyl-17t-((1R:4R)-1.4.5-trimethyl-hexen-(2t)-yl)-(9cH.14cH)-Δ^5.7-dodecahydro-1H-cyclopenta[a]phenanthren；3β-Acetoxy-24β_F-methyl-10α-cholestatrien-(5.7.22t)；10α-Ergostatrien-(5.7.22t)-yl-(3β)-acetat；Pyrocalciferol acetate；[(3S,9S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 1108-03-8
• 化学式: C₃₀H₄₆O₂
• 分子量: 438.694
• InChiKey: NGEVNHYPVVOXPB-BZNHKEIQSA-N

物化性质

• 熔点：
  78-79 °C
• 沸点：
  513.0±49.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  pyrocalcyferyl acetate 在 乙醇 、 Eosin Y 作用下， 生成 (10R:10'R)-3t,3't'-diacetoxy-10r,13t,10'r',13't'-tetramethyl-17t,17't'-bis-((1R:4R)-1,4,5-trimethyl-hexen-(2t)-yl)-(7ξH,14cH,7'ξ'H,14'c'H)-Δ^5,8,5',8'-tetracosahydro-1H,1'H-[7,7']bi[cyclopenta[a]phenanthrenyl]
  参考文献：
  名称：

  52.固醇组的研究。第XXXIX部分。麦角固醇，卢米固醇，焦钙化醇和异焦钙化醇的结构

  摘要：

  DOI：

  10.1039/jr9390000250
• 作为产物：
  描述：

  (3beta,10alpha,22E)-麦角甾-5,7,22-三烯-3-醇 、 乙酸酐 生成 pyrocalcyferyl acetate
  参考文献：
  名称：

  Mueller, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1935, vol. 233, p. 223,231

  摘要：

  DOI：

文献信息

• Kirby, Gordon W.; Mackinnon, John W.M., Journal of the Chemical Society. Perkin transactions I, 1985, p. 887 - 892
  作者：Kirby, Gordon W.、Mackinnon, John W.M.

  DOI：——

  日期：——
• Effect of burning on soil organic matter content and N mineralization under shifting cultivation system of Karen people in Northern Thailand
  作者：Sota Tanaka、Tomonori Ando、Shinya Funakawa、Chainarong Sukhrun、Thammanoon Kaewkhongkha、Katsutoshi Sakurai

  DOI：10.1080/00380768.2001.10408418

  日期：2001.9

  In the traditional shifting cultivation system practiced by the Karen people in northern Thailand, the effects of burning on the content of extractable organic matter, microbial biomass, and N mineralization process of the soils were studied. Five plots (5 x 5 m(2) quadrat) with 0, 10, 20, 50, and 100 Mg ha(-1) of slashed materials were arranged and burned. Ten to 20 Mg ha(-1) of slashed biomass corresponded to the amount commonly burned by the Karen people. During the burning process, the soil temperature at the depth of 2.5 cm in the 100 Mg ha(-1) plot almost evenly increased to 300 degreesC while the temperature in the 10 to 50 Mg ha(-1) plots increased with large variations from 50 to 300 degreesC. Burning caused a conspicuous increase in the contents of organic C and (organic+ mineral)-N extracted at room temperature and a simultaneous decrease in the contents of microbial biomass C and N, especially in the soil of the 100 Mg ha(-1) plot. In the rainy season, the values of the changes induced by burning reverted to the values recorded before burning, except for the microbial biomass in the 100 Mg ha(-1) plot, which still remained lower. Based on an incubation experiment, N mineralization rate was higher in the soils taken just after burning, especially in the 100 Mg ha(-1) plot, than in the soils taken during the rainy season. However, the soil in the 100 Mg ha(-1) plot was considered to have the lowest ability to supply mineral N among the soils in the rainy season. Burning of 10 to 20 Mg ha(-1) biomass corresponding to the values recorded in Karen peoples' shifting cultivation system was more compatible with soil ecology in terms of N supply at the initial stage of crop growth and of microbial biomass recovery during the rainy season, compared to the burning of 100 Mg ha(-1) biomass corresponding to the value recorded in a natural forest. Thus, the shifting cultivation system implemented by the Karen people can be considered to be a well-balanced agricultural system.
• The Structure of Photoisopyrocalciferol and Photopyrocalciferol^1-3
  作者：William G. Dauben、Gerhard J. Fonken

  DOI：10.1021/ja01524a062

  日期：1959.8