rac-3,3-ethanediyldioxy-11β-ethoxycarbonyloxy-16-methyl-14-oxo-14,15-seco-androsta-5,15-dien-18-oic acid ethyl ester | 122448-13-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: rac-3,3-ethanediyldioxy-11β-ethoxycarbonyloxy-16-methyl-14-oxo-14,15-seco-androsta-5,15-dien-18-oic acid ethyl ester
• 英文别名: rac-3,3-ethanediyldioxy-11β-ethoxycarbonyloxy-16-methyl-14-oxo-14,15-seco-13α-androsta-5,15-dien-18-oic acid ethyl ester；rac-3,3-Aethandiyldioxy-11β-aethoxycarbonyloxy-16-methyl-14-oxo-14,15-seco-13α-androsta-5,15-dien-18-saeure-aethylester
• CAS: 122448-13-9
• 化学式: C₂₇H₃₈O₈
• 分子量: 490.594
• InChiKey: HAJRVXOWFNGUDV-PHJZJKEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  97.36
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  rac-3,3-ethanediyldioxy-11β-ethoxycarbonyloxy-16-methyl-14-oxo-14,15-seco-androsta-5,15-dien-18-oic acid ethyl ester 在 甲醇 、 potassium carbonate 作用下， 生成 rac-3,3-ethanediyldioxy-11β-hydroxy-16-methyl-14,15-seco-18-nor-androsta-5,15-dien-14-one
  参考文献：
  名称：

  Totalsynthese des Aldosterons. A. (21?4)-Lacton derd,l-?8a-1-Oxo- 2?-methallyl-4 ?-hydroxy-4b ?-methyl-7-�thylendioxy-4a ?, 10a ?-dodecahydro-phenanthren-2 ?-carbons�ure. �ber Steroide, 147. Mitteilung

  摘要：

  AbstractStarting from d,l‐δ8a‐1‐oxo‐4 β‐hydroxy‐4b β‐methyl‐7‐ethylene‐ dioxy‐l,2,3,4, 4a α, 4b β, 5,6,7,8,10,10a β‐dodecahydro‐phenanthrene (I) the preparation of several tricyclic intermediates substituted at carbon atom 2 is described. The structure of these compounds has been established by a series of transformations.

  DOI：

  10.1002/hlca.19570400418
• 作为产物：
  描述：

  3-碘-2-甲基丙-1-烯 、 (+/-)-7,7-ethanediyldioxy-4t-ethoxycarbonyloxy-4b-methyl-1-oxo-(4ar,4bt,10at)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-phenanthrene-2-carboxylic acid ethyl ester 在 potassium carbonate 、 丙酮 作用下， 生成 rac-3,3-ethanediyldioxy-11β-ethoxycarbonyloxy-16-methyl-14-oxo-14,15-seco-androsta-5,15-dien-18-oic acid ethyl ester 、 rac-3,3-ethanediyldioxy-11β-ethoxycarbonyloxy-16-methyl-14-oxo-14,15-seco-androsta-5,15-dien-18-oic acid ethyl ester
  参考文献：
  名称：

  Totalsynthese des Aldosterons. A. (21?4)-Lacton derd,l-?8a-1-Oxo- 2?-methallyl-4 ?-hydroxy-4b ?-methyl-7-�thylendioxy-4a ?, 10a ?-dodecahydro-phenanthren-2 ?-carbons�ure. �ber Steroide, 147. Mitteilung

  摘要：

  AbstractStarting from d,l‐δ8a‐1‐oxo‐4 β‐hydroxy‐4b β‐methyl‐7‐ethylene‐ dioxy‐l,2,3,4, 4a α, 4b β, 5,6,7,8,10,10a β‐dodecahydro‐phenanthrene (I) the preparation of several tricyclic intermediates substituted at carbon atom 2 is described. The structure of these compounds has been established by a series of transformations.

  DOI：

  10.1002/hlca.19570400418