3α,6α-dihydroxy-5β-cholestan-24-one dimesylate | 67371-44-2

• 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: 3α,6α-dihydroxy-5β-cholestan-24-one dimesylate
• 英文别名: [(3R,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-oxoheptan-2-yl]-6-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanesulfonate
• CAS: 67371-44-2
• 化学式: C₂₉H₅₀O₇S₂
• 分子量: 574.844
• InChiKey: HFUCHAUTXBWEEZ-ZLMLVSKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3α,6α-dihydroxy-5β-cholestan-24-one dimesylate 在 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-Chlor-cholest-5-en-24-on
  参考文献：
  名称：

  Synthesis of desmosterol and epidesmosterol from hyodeoxycholic acid

  摘要：

  A new synthesis of desmosterol was described using hyodeoxycholic acid (3alpha,6alpha-dihydroxy-5beta-cholanic acid) as a starting material. Epidesmosterol (3alpha-hydroxycholesta-5,24-diene) was also synthesized for the first time from the same starting material.

  DOI：

  10.1016/s0039-128x(77)80025-1
• 作为产物：
  描述：

  Acetic acid (3R,5R,6S,8S,9S,10R,13R,14S,17R)-3-acetoxy-17-((R)-3-chlorocarbonyl-1-methyl-propyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-yl ester 在 吡啶 作用下， 生成 3α,6α-dihydroxy-5β-cholestan-24-one dimesylate
  参考文献：
  名称：

  Synthesis of desmosterol and epidesmosterol from hyodeoxycholic acid

  摘要：

  A new synthesis of desmosterol was described using hyodeoxycholic acid (3alpha,6alpha-dihydroxy-5beta-cholanic acid) as a starting material. Epidesmosterol (3alpha-hydroxycholesta-5,24-diene) was also synthesized for the first time from the same starting material.

  DOI：

  10.1016/s0039-128x(77)80025-1

文献信息

• 3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholestan-24-one derivatives and
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US04179452A1

  公开（公告）日：1979-12-18

  3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholestan-24-one or its derivative represented by the formula ##STR1## wherein R is as defined hereunder which is a useful intermediate for the production of an active vitamin D, and a process for preparing the compound of the formula are disclosed.

  本文披露了一种3.alpha.，6.alpha.-二羟基-5.beta.-胆甾酮-24-酮或其衍生物的公式表示为##STR1##其中R的定义如下，该化合物是生产活性维生素D的有用中间体，以及制备该化合物的过程。
• US4179452A
  申请人：——

  公开号：US4179452A

  公开（公告）日：1979-12-18