5α-estran-17β-ol | 17320-50-2

• 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: 5α-estran-17β-ol
• 英文别名: 5α-estranol-(17β)；(10S)-17c-Hydroxy-13c-methyl-(5tH.8cH.9tH.10rH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；17β-Hydroxy-13-methyl-5α-gonan；5α-Oestranol-(17β)；19-nor-5α-androstan-17β-ol；19-Nor-5α-androsten-17β-ol；(5R,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-ol
• CAS: 17320-50-2
• 化学式: C₁₈H₃₀O
• 分子量: 262.436
• InChiKey: BPQNGYJXSMNOKW-AXSMETJDSA-N

物化性质

• 熔点：
  126-129 °C
• 沸点：
  374.1±10.0 °C(Predicted)
• 密度：
  1.023±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  5α-estran-17β-ol 在 五氯化磷 作用下， 生成 17α-Chlor-5α-estran
  参考文献：
  名称：

  Cowell; Davis; Mathieson, Journal of the Chemical Society. Perkin transactions I, 1974, vol. 0, # 13, p. 1505 - 1513

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 、 乙醇 、 一水合肼 、 二乙二醇 作用下， 生成 5α-estran-17β-ol
  参考文献：
  名称：

  Fishman; Tomasz, Journal of Organic Chemistry, 1962, vol. 27, p. 365,367

  摘要：

  DOI：

文献信息

• [EN] 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF<br/>[FR] 19-NOR-C21-N-PYRAZOLYL-STÉROÏDES C3,3-DISUBSTITUÉS ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2014169833A9

  公开（公告）日：2016-03-03
• Pospisek,J. et al., Collection of Czechoslovak Chemical Communications, 1968, vol. 33, p. 76 - 82
  作者：Pospisek,J. et al.

  DOI：——

  日期：——
• Reduction of aromatic steroidal A rings by lithium in ethyl amine
  作者：Emilia Modica、Diego Colombo、Federica Compostella、Antonio Scala、Fiamma Ronchetti

  DOI：10.1016/s0039-128x(01)00145-3

  日期：2002.2

  The reduction of 3-methoxy-estra-1,3,5(10)-trien-17beta-ol (6) and 13-ethyl-3-ethoxy-gona-1,3,5(10)-triene-11alpha,17beta-diol (2) by lithium in ethyl amine in the absence of a proton source is described. Both reductions, contrary to the reports of previous investigators, which indicated the 4-ene to be the main reaction product, gave a complex mixture of products. In the case of the reduction of 2, which is an intermediate in the synthesis of the progestagen desogestrel (1), we obtained the expected known 13-ethyl-gona-4-ene-11alpha,17beta-diol (4) in small amounts and three new steroidal monoenes, 13-ethyl-gona-5(10)-ene-11alpha,17beta-dioI (11), 13-ethyl-gona-5(6)-ene-11alpha,17beta-diol (12), and 13-ethyl-gona-1(10)-ene-11alpha,17beta-diol (13). These compounds were characterized as the 11,17-diacetates with the 5(10)-ene 11 being the major compound. (C) 2002 Elsevier Science Inc. All rights reserved.
• NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF
  申请人：Sage Therapeutics, Inc.

  公开号：EP3149018B1

  公开（公告）日：2020-04-29
• 19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROID FOR USE IN THERAPY
  申请人：Sage Therapeutics, Inc.

  公开号：EP3498725B1

  公开（公告）日：2021-06-09