cholic acid 3,7-diacetate | 7432-64-6

• 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: cholic acid 3,7-diacetate
• 英文别名: 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oic acid；3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-saeure；12α-Hydroxy-3α,7α-diacetoxy-5β-cholansaeure-(24)；(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-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]pentanoic acid
• CAS: 7432-64-6
• 化学式: C₂₈H₄₄O₇
• 分子量: 492.653
• InChiKey: BKPNMUHLOXZELU-AMSHGWJLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  cholic acid 3,7-diacetate 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 3α,7α-diacetoxy-12-one-5β-cholan-24-oic acid
  参考文献：
  名称：

  Wieland; Kapitel, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1932, vol. 212, p. 269,273

  摘要：

  DOI：
• 作为产物：
  描述：

  胆酸 、 溶剂黄146 在 乙酰氯 作用下， 生成 cholic acid 3,7-diacetate
  参考文献：
  名称：

  Sannie, Bulletin de la Societe Chimique de France, 1938, vol. <5> 5, p. 260

  摘要：

  DOI：

文献信息

• �ber die Decarboxylierung von 3 ?-Acetoxy-�tio-allo-cholans�ure und von Triacetyl-cholans�ure durch Bromabbau der Silbersalze
  作者：Max Rottenberg

  DOI：10.1002/hlca.19520350426

  日期：1952.5.2

  The silver salt of 3β-acetoxy-etio allocholanic acid was treated with bromine. Contrary to an earlier report the resulting product was essentially neutral. From the complex mixture of brominated material a crystalline substance was isolated in very poor yiel. Its analytical figures correspond approximately to acetoxyandrostanylbromide.

  用溴处理3β-乙酰氧基-异代异戊酸的银盐。与先前的报告相反，所得产品基本上是中性的。从溴化物质的复杂混合物中分离出结晶物质，其收率很差。其分析数据大致对应于乙酰氧基雄烷溴化甲烷。
• Über Steroide und Sexualhormone. (97. Mitteilung). Über Beziehungen zwischen Konstitution und optischer Drehung in der Cholsäure-Reihe
  作者：Pl. A. Plattner、H. Heusser

  DOI：10.1002/hlca.19440270193

  日期：——
• Borsche, Chemische Berichte, 1924, vol. 57, p. 1620
  作者：Borsche

  DOI：——

  日期：——
• In situ time-resolved FTIR investigation on the reaction mechanism of partial oxidation of methane to syngas over supported Rh and Ru catalysts
  作者：Weizheng Weng、Mingshu Chen、Qiangu Yan、Tinghua Wu、Zisheng Chao、Yuanyan Liao、Huilin Wan

  DOI：10.1007/bf02886360

  日期：2000.12

  In situ time-resolved FTIR spectroscopy was used to study the reaction mechanism of partial oxidation of methane (POM) to synthesis gas and the reaction of CH4/O-2/He (2/1/45, molar ratio) gas mixture with adsorbed CO species over Rh/SiO2, Ru/gamma -Al2O3 and Ru/SiO2 catalysts at 500-600 degreesC. It was found that CO is the primary product of POM reaction over reduced and working state Rh/SiO2 catalysts. Direct oxidation of CH4 is the main pathway of synthesis gas formation over Rh/SiO2 catalyst. CO2 is the primary product of POM over Ru/gamma -Al2O3 and Ru/SiO2 catalysts. The dominant reaction pathway for synthesis gas formation over Ru/gamma -Al2O3 catalyst is via the reforming reactions of CH4 with CO2 and H2O. For the POM reaction over Rh/SiO2 and Ru/gamma -Al2O3 catalysts, consecutive oxidation of surface CO species is an important pathway of CO2 formation.
• Shimizu; Kazuno; Matsumoto, 1948, vol. 20, p. 144,145
  作者：Shimizu、Kazuno、Matsumoto

  DOI：——

  日期：——