3β-acetoxy-20-methyl-21.21-diphenyl-pregnadiene-(5.20) | 432027-36-6

• 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: 3β-acetoxy-20-methyl-21.21-diphenyl-pregnadiene-(5.20)
• 英文别名: (10R)-3c-Acetoxy-10r.13c-dimethyl-17c-(1-methyl-2.2-diphenyl-vinyl)-(8cH.9tH.14tH)-Δ⁵-tetradecahydro-1H-cyclopenta[a]phenanthren；Essigsaeure-(20-methyl-21.21-diphenyl-pregnadien-(5.20)-yl-(3β)-ester)；3β-Acetoxy-20-methyl-21.21-diphenyl-pregnadien-(5.20)
• CAS: 432027-36-6
• 化学式: C₃₆H₄₄O₂
• 分子量: 508.744
• InChiKey: TUPHAWCPDZPBBR-MGANHSEISA-N

物化性质

• 沸点：
  598.8±50.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.02
• 重原子数：
  38.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3β-acetoxy-20-methyl-21.21-diphenyl-pregnadiene-(5.20) 在 氢氧化钾 、 氯仿 、 溴 作用下， 生成 3β-hydroxy-pregn-5-en-20-one semicarbazone
  参考文献：
  名称：

  DE699309

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 3β-hydroxy-23-bisnorchol-5-en-22-oate 在 乙醚 、 苯基溴化镁 、 甲苯 作用下， 生成 3β-acetoxy-20-methyl-21.21-diphenyl-pregnadiene-(5.20)
  参考文献：
  名称：

  Unsaturated pregnanolones and pregnandiones and a method of producing the same

  摘要：

  公开号：

  US02232438A1

文献信息

• Process for the manufacture of carboxylic acids of the cyclopentanopolyhydro-phenanthrene-series and their derivatives
  申请人：ROCHE ORGANON INC

  公开号：US02297580A1

  公开（公告）日：1942-09-29

  513,060. Cyclopentanophenanthrene compounds. NAAMLOOZE VENNOOTSCHAP ORGANON. March 16, 1938, No. 8178. Convention date, March 17, 1937. [Class 2 (iii)] Cyclopentanodimethylpolyhydro - phenanthrene carboxylic acids or derivatives thereof are obtained by subjecting grignardization products of unsaturated alpha-(cyclopentanodimethylpolyhydrophenanthrene)-propionic acids, the double bonds of which have been saturated with halogen or hydrogen halide and any further oxidizable groups attached to the nucleus have been suitably protected, to the action of a stronger oxidization agent than zone, and isolating the resulting acids. The grignardization product may comprise substituted or unsubstituted tertiary-norcholeniccarbinols. In an example, a grignard's solution prepared from 8 gr. of magnesium and 45 gr. of bromobenzene in absolute ether, is given an addition of 10 gr. of acetoxy-3-#-5, 6-bisnorcholenic acid to give the acylated diol. This is treated with chromic anhydride and glacial acetic acid to give acetoxy-3-#-5, 6- aetrocholenic acid. Specification 443,964 is referred to.

  513,060. 环戊基苯并蒽化合物。NAAMLOOZE VENNOOTSCHAP ORGANON。1938年3月16日，编号8178。公约日期，1937年3月17日。[2类（iii）]通过将未饱和的α-(环戊基二甲基多羟基蒽)-丙酸的格林尼达化产物，其双键已用卤素或氢卤酸饱和，并且连接到核的任何进一步可氧化的基团已得到适当保护，经受比区更强的氧化剂作用，并分离得到环戊基二甲基多羟基蒽羧酸或其衍生物。格林尼达化产物可能包括取代或未取代的三级诺尔胆烯醇。例如，将8克镁和45克溴苯在绝对醚中制备的格林尼达溶液，加入10克乙酰氧-3-＃-5,6-双诺尔胆酸以得到酰化二醇。这经过氧化铬酸和冰乙酸处理以得到乙酰氧-3-＃-5,6-乙胆酸。参考规范443,964。
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  DOI：10.1080/01944360108976250

  日期：2001.12.31

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• Butenandt; Westphal; Cobler, Chemische Berichte, 1934, vol. 67, p. 1611,1615
  作者：Butenandt、Westphal、Cobler

  DOI：——

  日期：——
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  DOI：——

  日期：——
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  日期：——