(6beta,17beta)-雌甾-1,3,5(10)-三烯-3,6,17-三醇三乙酸酯 | 6944-48-5

• 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
• 中文名称: (6beta,17beta)-雌甾-1,3,5(10)-三烯-3,6,17-三醇三乙酸酯
• 英文名称: estratriene-(1,3,5(10))-triyl-(3,6β,17β)-triacetate
• 英文别名: (8R)-3,6c,17c-Triacetoxy-13c-methyl-(8rH,9tH,14tH)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren；3,6β,17β-Triacetoxy-13-methyl-gonatrien-(1,3,5(10))；Oestratrien-(1,3,5(10))-triyl-(3,6β,17β)-triacetat；3,6β,17β-Triacetoxy-oestratrien-(1,3,5(10))；3,6β,17β-Triacetoxy-oestratrien-(A)；3,6,17-Triacetat v. 6β-Hydroxyoestradiol；Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate；[(6R,8R,9S,13S,14S,17S)-3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
• CAS: 6944-48-5
• 化学式: C₂₄H₃₀O₆
• 分子量: 414.499
• InChiKey: LMXGPAGGDXVARU-LSLXWZMWSA-N

物化性质

• 熔点：
  173-175 °C
• 沸点：
  505.3±50.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 aluminum isopropoxide 、 异丙醇 、 苯 作用下， 生成 1,3,5(10)-雌甾三烯-3,6alpha,17beta-三醇三乙酸酯 、 (6beta,17beta)-雌甾-1,3,5(10)-三烯-3,6,17-三醇三乙酸酯
  参考文献：
  名称：

  Oxygenated estrogenic hormones and method of preparing same

  摘要：

  公开号：

  US02294938A1

文献信息

• The Epimeric 6-Hydroxy-3,17β-estradiols
  作者：O. Wintersteiner、M. Moore

  DOI：10.1021/ja01511a044

  日期：1959.1
• Microbial Hydroxylation of Estrone and Estradiol in the 6β-, 7α-, and 15α-Positions
  作者：Allen I. Laskin、Paul Grabowich、Barbara Junta、Carol de Lisle Meyers、Josef Fried

  DOI：10.1021/jo01029a014

  日期：1964.6
• EXTRACTS OF SAUDI ARABIAN HERBAL PLANTS, ANTI-CANCER METHOD USING SUCH EXTRACTS, AND CYTOLOGICAL PROFILING USING AUTOMATED HIGH-CONTENT IMAGING TECHNIQUE
  申请人：King Abdullah University of Science and Technology

  公开号：US20190298786A1

  公开（公告）日：2019-10-03

  Cell-based phenotypic profiling and image based high-content screening are used to gain insight into the mode of action and potential cellular targets of plants historically used to determine anti-cancer activity of Saudi Arabian plants Juniperus phoenicea (Arar), Anastatica hierochuntica (Kaff Maryam), and Citrullus colocynthis (Hanzal). The cytological profiles of fractions taken from the plants were compared with a set of reference compounds with known modes of action. Cluster analyses of the cytological profiles were performed, which revealed detailed information on the modes of action of the tested compounds as potential topoisomerase inhibitors. Cytological profiles showed that some of these compounds inhibited cell proliferation causing cell cycle disruption.