1α,3β-dihydroxy-24-oxo-cholesta-5,7-dien | 70834-97-8

• 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: 1α,3β-dihydroxy-24-oxo-cholesta-5,7-dien
• 英文别名: 1α,3β-dihydroxy-24-oxo cholesta-5,7-dien；1α,3β-dihydroxy-24-oxocholesta-5,7-diene；1α,3β-dihydroxycholesta-5,7-diene-24-one；1α,3β-dihydroxy-24-oxocholesta-5,7-dien；1alpha,3beta-Dihydroxy-24-oxo cholesta-5,7-dien；(6R)-6-[(1S,3R,9S,10R,13R,14R,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-one
• CAS: 70834-97-8
• 化学式: C₂₇H₄₂O₃
• 分子量: 414.629
• InChiKey: QHHAQXFGNDGIMA-QXIFEYHWSA-N

物化性质

• 沸点：
  557.7±50.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-二氢-2H-吡喃 、 1α,3β-dihydroxy-24-oxo-cholesta-5,7-dien 在 对甲苯磺酸 作用下， 以 二氯甲烷 、 丙酮 、 苯 为溶剂， 生成 1α,3β-bis(tetrahydropyranyloxy)-24-oxocholesta-5,7-diene
  参考文献：
  名称：

  Novel 1.alpha.-hydroxy-24-oxovitamin D.sub.3, its preparing process and

  摘要：

  小说1.alpha.，3.beta.-二羟基-24-氧基胆甾-5,7-二烯及其羟基保护衍生物。所述新型1.alpha.-羟基-24-氧基维生素D.sub.3和所述新型中间体也可作为1.alpha.，24-二羟基维生素D.sub.3的中间体。1.alpha.，3.beta.-二羟基-24-氧基胆甾-5,7-二烯及其羟基保护衍生物是通过从岩藻甾醇经由1.alpha.，3.beta.-二保护羟基-24(24)-乙二氧基胆甾-5-烯制备而成。1.alpha.-羟基-24-氧基维生素D.sub.3是通过紫外线辐射1.alpha.，3.beta.-二羟基-24-氧基胆甾-5,7-二烯或其羟基保护衍生物，利用热能异构化以及必要时消除保护基而制备的。

  公开号：

  US04199577A1

文献信息

• Meiosis regulating compounds
  申请人：——

  公开号：US20010005757A1

  公开（公告）日：2001-06-28

  Certain compounds, structurally related to natural compounds which can be extracted i.a. from bull testes and from human follicular fluid, can be used for regulating the meiosis in oocytes and in male germ cells. Some of these compounds are useful in the treatment of infertility, whereas other compounds are useful as contraceptives. These compounds have the structural formula 1 wherein the substituents are as defined in the specification.

  某些化合物在结构上与可以从公牛睾丸和人类卵泡液中提取的天然化合物相关，可用于调节卵母细胞和男性生殖细胞中的减数分裂。其中一些化合物对治疗不孕症有用，而其他化合物则可用作避孕药。这些化合物具有结构式，其中取代基如规范中定义。
• 25-Hydroxy-24-oxocholestane derivatives and preparation thereof
  申请人：Teijin Limited

  公开号：US04292249A1

  公开（公告）日：1981-09-29

  This invention relates to novel 25-hydroxy-24-oxocholestane derivatives and a process for preparing them. The novel 25-hydroxy-24-oxocholestane derivatives of this invention can easily be converted to 24,25-dihydroxycholecalciferol or 1.alpha.,24,25-trihydroxycholecalciferol which is known as useful for medicine controlling the calcium metabolism of warm-blooded animals. Moreover, 25-hydroxy-24-oxocholestane derivatives can be converted to novel 25-hydroxy-24-oxocholecalciferol expressed by the following formula ##STR1## and novel 1.alpha.,25-dihydroxy-24-oxocholecalciferol of the formula ##STR2## which are useful for medicine. The new 25-hydroxy-24-oxocholestane derivatives in the present invention are very useful as the intermediates for the synthesis of a variety of active vitamin D.sub.3.

  本发明涉及新型25-羟基-24-氧代胆甾烷衍生物及其制备方法。本发明的新型25-羟基-24-氧代胆甾烷衍生物可以轻松转化为24,25-二羟基胆钙化醇或1α，24,25-三羟基胆钙化醇，这被认为对控制温血动物的钙代谢很有用。此外，25-羟基-24-氧代胆甾烷衍生物可以转化为下式所示的新型25-羟基-24-氧代胆钙化醇和下式所示的新型1α，25-二羟基-24-氧代胆钙化醇，这对药物很有用。本发明中的新型25-羟基-24-氧代胆甾烷衍生物非常有用，因为它们是合成各种活性维生素D3的中间体。
• Process for producing steroid compounds having an oxogroup in the side chain
  申请人：TEIJIN LIMITED

  公开号：EP0013082A1

  公开（公告）日：1980-07-09

  A process for producing a steroid compound having an oxo group in the side chain, which comprises condensing an acid halide having a steroid skeleton with an organozinc compound at a halocarbonyl group of the acid halide in an inert organic medium in the presence of a catalytic amound of an ether capable of forming a complex with the organozinc compound and, if desired, hydrolyzing the product. The process gives the steroid compound in a high yield, and often in an almost quantitative yield. The steroid compound can be an important intermediate for the production of vitamin D3 analogs, such as active forms of vitamin D3.

  一种生产侧链中含有氧代基团的甾体化合物的工艺，包括在惰性有机介质中，在能与有机锌化合物形成络合物的醚的催化下，在酸卤化物的卤代羰基上将具有甾体骨架的酸卤化物与有机锌化合物缩合，并在需要时水解产物。该工艺可以得到高产率的甾体化合物，通常几乎可以达到定量产率。类固醇化合物可以作为生产维生素 D3 类似物（如活性维生素 D3）的重要中间体。
• New 25-hydroxy-24-oxocholestane derivatives and preparation thereof
  申请人：TEIJIN LIMITED

  公开号：EP0015122A1

  公开（公告）日：1980-09-03

  The novel 25-hydroxy-24-oxocholestane derivatives of this invention can easily be converted to 24,25-dihydroxycholecalciferol or 1α,24,25-trihydroxycholecalciferol which is known as useful for medicine controlling the calcium metabolism of warm-blooded animals. Moreover, 25-hydroxy-24-oxocholestane derivatives can be converted to novel 25-hydroxy-24- oxocholecalciferol expressed by the following formula and novel 1 α,25-dihydroxy-24-oxocholecalciferol of the formula

  本发明的新型 25-hydroxy-24-oxocholestane 衍生物可以很容易地转化为 24,25-二羟基胆钙化醇或 1α,24,25-三羟基胆钙化醇，后者是众所周知的用于控制温血动物钙代谢的药物。此外，25-羟基-24-氧代胆甾烷衍生物可转化为新型 25-羟基-24-氧代胆钙化醇，如下式所示 和新型 1 α,25-二羟基-24-氧代胆钙化醇，其式为
• OSIDA, DZYUNITI;ISIMARU, KEHNDZI;TSURUTA, XIDEHKI;ISIDZUKA, SEHJITI
  作者：OSIDA, DZYUNITI、ISIMARU, KEHNDZI、TSURUTA, XIDEHKI、ISIDZUKA, SEHJITI

  DOI：——

  日期：——