(20S,25RS)-22-oxocholest-5-ene-3β,26-diol | 122441-54-7

• 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: (20S,25RS)-22-oxocholest-5-ene-3β,26-diol
• 英文别名: 22-keto-26-hydroxycholesterol；Dormantinone；(2S)-7-hydroxy-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one
• CAS: 122441-54-7
• 化学式: C₂₇H₄₄O₃
• 分子量: 416.645
• InChiKey: ANPHLQXCHVRCDX-VRTZSAKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (25R)-22-oxocholest-5-ene-3β,26-diol 16,16-(cycloethylene dithioketal) 3,26-diacetate 在 氢氧化钾 、 镍 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 (20S,25RS)-22-oxocholest-5-ene-3β,26-diol
  参考文献：
  名称：

  Synthesis of (20R,25R)-cholest-5-ene-3.beta.,26-diol and the occurrence of base-catalyzed 1,5-hydride shift in a steroidal 1,5-ketol

  摘要：

  DOI：

  10.1021/jo00213a031

文献信息

• Constructs and methods for biosynthesis of cyclopamine
  申请人：Donald Danforth Plant Science Center

  公开号：US11001850B2

  公开（公告）日：2021-05-11

  The present disclosure relates generally to the identification of enzymes within the cyclopamine biosynthesis pathway as well as to engineering transgenic plants or organisms for the production of cyclopamine.

  本公开总体上涉及环丙胺生物合成途径中酶的鉴定以及用于生产环丙胺的转基因植物或生物工程。
• CONSTRUCTS AND METHODS FOR BIOSYNTHESIS OF CYCLOPAMINE
  申请人：Donald Danforth Plant Science Center

  公开号：US20190185868A1

  公开（公告）日：2019-06-20

  The present disclosure relates generally to the identification of enzymes within the cyclopamine biosynthesis pathway as well as to engineering transgenic plants or organisms for the production of cyclopamine.
• [EN] CONSTRUCTS AND METHODS FOR BIOSYNTHESIS OF CYCLOPAMINE<br/>[FR] CONSTRUCTIONS ET PROCÉDÉS POUR LA BIOSYNTHÈSE DE CYCLOPAMINE
  申请人：DONALD DANFORTH PLANT SCI CT

  公开号：WO2015200831A2

  公开（公告）日：2015-12-30

  The present disclosure relates generally to the identification of enzymes within the cyclopamine biosynthesis pathway as well as to engineering transgenic plants or organisms for the production of cyclopamine.