5β-androstanetriol-(3α.12α.17β) | 6656-28-6

• 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: 5β-androstanetriol-(3α.12α.17β)
• 英文别名: (10S)-3t.12t.17c-Trihydroxy-10r.13c-dimethyl-(5cH.8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；3α.12α.17β-Trihydroxy-10.13-dimethyl-5β-gonan；5β-Androstantriol-(3α.12α.17β)；3α,12α,17β-Trihydroxy-5β-androstan；5beta-Androstane-3alpha,12alpha,17beta-triol；(3R,5R,8R,9S,10S,12S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12,17-triol
• CAS: 6656-28-6
• 化学式: C₁₉H₃₂O₃
• 分子量: 308.461
• InChiKey: GVDLDJIIHOTSDS-LNDQFOMPSA-N

物化性质

• 熔点：
  235-237 °C
• 沸点：
  456.1±40.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 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：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5β-androstanetriol-(3α.12α.17β) 在 三氟化硼乙醚 、 N-溴代乙酰胺 作用下， 生成 17β-Hydroxy-12α-isopropyloxy-androst-4-en-3-on
  参考文献：
  名称：

  Acid-Catalyzed 1,5-Hydride Transfer

  摘要：

  DOI：

  10.1021/jo01345a015
• 作为产物：
  描述：

  3α-Hydroxy-12α-isopropyloxy-5β-androstan-17-on 生成 5β-androstanetriol-(3α.12α.17β)
  参考文献：
  名称：

  Acid-Catalyzed 1,5-Hydride Transfer

  摘要：

  DOI：

  10.1021/jo01345a015

文献信息

• TWO-FOLD CYCLOALKYLATIONS OF A BICYCLO[3.3.0]OCTANE-3,7-DIONE
  作者：Eckehard Volker Dehmlow、Hans-Jorg Breyholz、Beate Neumann、Hans-Georg Stammler

  DOI：10.1080/00304940109356607

  日期：2001.8

  5-dicarboxylate with 2-halomethylallyl halides to give cycloheptane derivatives was reported quite recently by Rodriguez et a l . (Eq. Our interest in double ring enlargements of substituted bicyclo[3.3.0]octanes to bicyclo[5.5.0]dodecanes as possible intermediates for certain polycycles,3.4 prompted us to apply this new reaction to compound l.s

  Rodriguez 等人最近报道了一种优雅的三步一锅环扩大环戊酮-2,5-二羧酸二甲酯与 2-卤代甲基烯丙基卤化物的环庚烷衍生物。（方程式：我们对取代双环 [3.3.0] 辛烷双环扩大为双环 [5.5.0] 十二烷作为某些多环的可能中间体的兴趣，3.4 促使我们将这种新反应应用于化合物 ls
• Synthesis of some 12-oxygenated derivatives of oestradiol
  作者：M. M. Coombs、H. R. Roderick

  DOI：10.1039/j39670001819

  日期：——

  12β-Hydroxy- and 12-oxo-oestradiol have been synthesised by way of zinc-catalysed aromatisation of 17β-acetoxyandrosta-1,4,9(11)-triene-3,12-dione.

  通过锌催化的17β-乙酰氧基雄甾烷-1,4,9（11）-三烯-3,12-二酮的芳构化反应合成了12β-羟基-和12-氧-雌二醇。
• Remote sensing and GIS for locating favourable zones of lead-zinc-copper mineralization in Rajpura-Dariba area, Rajasthan, India
  作者：S. K. Srivastav、A. Bhattacharya、M. V. V. Kamaraju、G. Sreenivasa Reddy、A. K. Shrimal、D. S. Mehta、F. K. List、H. Burger

  DOI：10.1080/014311600750019877

  日期：2000.1

  This paper reports the results of a pilot study carried out in Rajpura-Dariba area, Rajasthan, for locating favourable zones of lead-zinc-copper (Pb-Zn-Cu) mineralization using remote sensing, Geographical Information System (GIS) and geostatistical modelling techniques. Remotely sensed data, both aerial and satellite, were used to update the existing geological map. ATLAS GIS software and multivariate geostatistical techniques were used to analyse and integrate different types of geological and geophysical datasets. The Favourability Index (FI) maps prepared during this study show the occurrence of three favourable zones for Pb-Zn-Cu mineralization. They are: (i) around and north of Rawan ka Khera; (ii) isolated spots between Ruppura and Bhupalsagar; and (iii) north of Dhani. Selective geochemical sampling and resistivity profiling carried out in these favourable zones indicated the presence of geochemical anomalies (anomalous concentrations of Zn and Cu) and low/moderate resistivity zones, respectively. Recent drilling carried out by the Department of Mines and Geology (DMG), Rajasthan, at about 2.5 km north of Rawan ka Khera (one of the predicted favourable zones) indicated evidence of Cu mineralization at a depth of about 70 m.
• Takeda,K. et al., Chemical and pharmaceutical bulletin, 1975, vol. 23, p. 2711 - 2727
  作者：Takeda,K. et al.

  DOI：——

  日期：——
• Perbenzoic Acid Oxidation of 20-Ketopregnanes
  作者：Lewis Hastings Sarett

  DOI：10.1021/ja01203a076

  日期：1947.11