20-methyl-(3β,5α)-pregn-20-en-3-ol | 54411-87-9

• 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: 20-methyl-(3β,5α)-pregn-20-en-3-ol
• 英文别名: (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-(prop-1-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol；3β-hydroxy-10.13-dimethyl-17β-isopropenyl-5α-gonane；3β-Hydroxy-10.13-dimethyl-17β-isopropenyl-5α-gonan；(10S)-3c-Hydroxy-10r.13c-dimethyl-17c-isopropenyl-(5tH.8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；Pregn-20-en-3-ol, 20-methyl-, (3beta,5alpha)-；(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 54411-87-9
• 化学式: C₂₂H₃₆O
• 分子量: 316.527
• InChiKey: KDQAEGDYMDVBNL-BPNMPVEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  20-methyl-(3β,5α)-pregn-20-en-3-ol 生成 20-methyl-5α-pregn-20-en-3β-yl acetate
  参考文献：
  名称：

  Further Aspects of the Wittig Reaction in the Steroid Series. 20-Dehydrocholesterol and 20-Isocholesterol

  摘要：

  DOI：

  10.1021/ja01545a046
• 作为产物：
  描述：

  别孕烯醇酮醋酸酯 在 乙醚 、 苯 作用下， 210.0 ℃ 、1.47 kPa 条件下， 生成 20-methyl-(3β,5α)-pregn-20-en-3-ol
  参考文献：
  名称：

  比利时国家经济和发展史托夫分校。（67. Mitteilung）。Verche zur Bereitung vonÄtiocholandiol-（3α，12β）-on-17 durch systematischen Abbau

  摘要：

  DOI：

  10.1002/hlca.19440270170

文献信息

• [EN] OXYSTEROLS AND METHODS OF USE THEREOF<br/>[FR] OXYSTÉROLS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2018075699A1

  公开（公告）日：2018-04-26

  Compounds are provided according to Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein R2, R3, R4, R5, and and R6 are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.

  根据公式（I）提供化合物及其药学上可接受的盐，以及药物组合物；其中R2、R3、R4、R5和R6的定义如本文所述。本发明的化合物被认为对预防和治疗各种疾病条件有用。
• Oxysterols and methods of use thereof
  申请人：Sage Therapeutics, Inc.

  公开号：US11149054B2

  公开（公告）日：2021-10-19

  Compounds are provided according to Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein R2, R3, R4, R5, and and R6 are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.

  根据式（I）提供化合物：及其药学上可接受的盐，以及其药物组合物；其中 R2、R3、R4、R5 和 R6 如本文所定义。本发明的化合物可用于预防和治疗多种疾病。
• Regioselective Semihydrogenation of Dienes
  作者：Thomas J. A. Graham、Thomas H. Poole、Charles N. Reese、Brian C. Goess

  DOI：10.1021/jo200262r

  日期：2011.5.20

  A one-pot, three-step strategy for the regioselective semihydrogenation of dienes is described. This procedure uses 9-BBN-H as a temporary protective group for alkenes. Yields range from 55% to 95%, and the reaction is tolerant of a variety of common functional groups. Additionally, the final elimination step of the sequence can be replaced with a peroxide-mediated alkylborane oxidation, generating regioselectively semihydrogenated product alcohols.
• OXYSTEROLS AND METHODS OF USE THEREOF
  申请人：Sage Therapeutics, Inc.

  公开号：US20190248829A1

  公开（公告）日：2019-08-15

  Compounds are provided according to Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein R 2 , R 3 , R 4 , R 5 , and and R 6 are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.
• �ber Bestandteile der Nebennierenrinde und verwandte Stoffe. (67. Mitteilung). Versuche zur Bereitung von �tiocholandiol-(3 ?, 12 ?)-on-17 durch systematischen Abbau
  作者：B. Koechlin、T. Reichstein

  DOI：10.1002/hlca.19440270170

  日期：——