依普利酮EP杂质F | 579484-30-3

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 中文名称: 依普利酮EP杂质F
• 英文名称: SC-70303
• 英文别名: 9α,11α-epoxy-7α-methoxycarbonyl-17β-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid；9α,11α-epoxy-17β-hydroxy-7α-methoxycarbonyl-3-oxo-17α-pregn-4-ene-21-carboxylic acid；SC-70303 free acid；3-[(1R,2S,9R,10R,11S,14R,15S,17R)-14-hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid
• CAS: 579484-30-3
• 化学式: C₂₄H₃₂O₇
• 分子量: 432.514
• InChiKey: XNSDIIWFWKXZBT-VWBFHTRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Processes for preparation of 9,11-epoxy steroids and intermediates useful therein
  申请人：Ng S. John

  公开号：US20050239761A1

  公开（公告）日：2005-10-27

  Novel 9α-hydroxy steroid compounds, including compounds of Formula IX wherein -A-A-, —B—B—, R 1 , R 3 , R 8 and R 9 are as defined in the specification.

  包括式IX中的化合物的新型9α-羟基类固醇化合物，其中-A-A-，—B—B—，R1，R3，R8和R9如规范中所定义。
• Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein
  申请人：G. D. Searle & Company

  公开号：US20040067917A1

  公开（公告）日：2004-04-08

  Multiple novel reaction schemes, novel process steps and novel intermediates are provided for the synthesis of epoxymexrenone and other compounds of Formula I 1 wherein: -A-A- represents the group —CHR 4 —CHR 5 — or —CR 4 ═CR 5 — R 3 , R 4 and R 5 are independently selected from the group consisting of hydrogen, halo, hydroxy, lower alkyl, lower alkoxy, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, cyano, aryloxy, R 1 represents an alpha-oriented lower alkoxycarbonyl or hydroxyalkyl radical, -B-B- represents the group —CHR 6 —CHR 7 or an alpha- or beta-oriented group: 2 where R 6 and R 7 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, and R 1 and R 9 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, or R 8 and R 9 together comprise a carbocyclic or heterocyclic ring structure, or R 8 or R 9 together with R 6 or R 7 comprise a carbocyclic or heterocyclic ring structure fused to the pentacyclic D ring.

  提供多种新颖的反应方案、新颖的工艺步骤和新颖的中间体，用于合成环氧美斯雷酮和其他I类化合物，其中：-A-A-表示基团—CHR4—CHR5—或—CR4═CR5—R3，R4和R5独立地选自氢、卤、羟基、低级烷基、低级烷氧基、羟基烷基、烷氧基烷基、羟基羰基、氰、芳氧基，R1表示α取向的低级烷氧羰基或羟基烷基基团，-B-B-表示基团—CHR6—CHR7或α-或β-取向的基团：2其中，R6和R7独立地选自氢、卤、低级烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羰基、烷基、烷氧羰基、酰氧基烷基、氰、芳氧基，R1和R9独立地选自氢、卤、低级烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羰基、烷基、烷氧羰基、酰氧基烷基、氰、芳氧基，或R8和R9共同构成一个碳环或杂环结构，或R8或R9和R6或R7共同构成一个与五环D环融合的碳环或杂环结构。
• Processes for preparation of 9,11- epoxy steroids and intermediates useful therein
  申请人：——

  公开号：US20020016455A1

  公开（公告）日：2002-02-07

  Multiple novel reaction schemes, novel process steps and novel intermediates are provided for the synthesis of epoxymexrenone and other compounds of Formula I 1 wherein: —A—A— represents the group —CHR 4 —CHR 5 — or —CR 4 ═CR 5 — R 3 , R 4 and R 5 are independently selected from the group consisting of hydrogen, halo, hydroxy, lower alkyl, lower alkoxy, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, cyano, aryloxy, R 1 represents an alpha-oriented lower alkoxycarbonyl or hydroxyalkyl radical, —B—B— represents the group —CHR 6 —CHR 7 — or an alpha- or beta-oriented group: 2 where R 6 and R 7 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, and R 8 and R 9 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, or R 8 and R 9 together comprise a carbocyclic or heterocyclic ring structure, or R 8 or R 9 together with R 6 or R 7 comprise a carbocyclic or heterocyclic ring structure fused to the pentacyclic D ring.

  提供了多种新型反应方案、新型工艺步骤和新型中间体，用于合成环氧甲酮和其他I1式化合物，其中：—A—A—代表—CHR4—CHR5—或—CR4═CR5—R3的基团，其中R4和R5分别独立地选自氢、卤素、羟基、低级烷基、低级烷氧基、羟基烷基、烷氧基烷基、羟基羧基、氰基、芳氧基；R1代表α定向的低级烷氧羰基或羟基烷基基团，—B—B—代表—CHR6—CHR7—或α-或β定向的基团：2其中R6和R7独立地选自氢、卤素、低级烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羧基、烷基、烷氧羰基、酰氧基烷基、氰基、芳氧基，且R8和R9独立地选自氢、卤素、低级烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羧基、烷基、烷氧羰基、酰氧基烷基、氰基、芳氧基，或R8和R9共同构成一个碳环或杂环结构，或R8或R9与R6或R7共同构成与五环D融合的碳环或杂环结构。
• Processes for preparation of 9-11, epoxy steroids and intermediates useful therein
  申请人：——

  公开号：US20020019522A1

  公开（公告）日：2002-02-14

  Multiple novel reaction schemes, novel process steps and novel intermediates are provided for the synthesis of epoxymexrenone and other compounds of 1 wherein: —A—A— represents the group —CHR 4 —CHR 5 — or —CR 4 =CR 5 — R 3 , R 4 and R 5 are independently selected from the group consisting of hydrogen, halo, hydroxy, lower alkyl, lower alkoxy, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, cyano, aryloxy, R 1 represents an alpha-oriented lower alkoxycarbonyl or hydroxyalkyl radical, —B—B— represents the group —CHR 6 —CHR 7 — or an alpha- or beta-oriented group: 2 where R 6 and R 7 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, and R 8 and R 9 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, or R 8 and R 9 together comprise a carbocyclic or heterocyclic ring structure, or R 8 or R 9 together with R 6 or R 7 comprise a carbocyclic or heterocyclic ring structure fused to the pentacyclic D ring.

  提供了多种新颖的反应方案、新颖的工艺步骤和新颖的中间体，用于合成环氧麦斯瑞酮和其他化合物，其中：-A-A-代表基团-CHR4-CHR5-或-CR4=CR5-R3，R4和R5独立地选自氢、卤素、羟基、低碳基、低烷氧基、羟基烷基、烷氧基烷基、羟基羧基、氰基、芳氧基，R1代表α定向的低碳基羧酸酯或羟基烷基基团，-B-B-代表基团-CHR6-CHR7-或α-或β-定向的基团：其中R6和R7独立地选自氢、卤素、低烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羧基、烷基、烷氧基羧酸酯、酰氧基烷基、氰基、芳氧基，R8和R9独立地选自氢、卤素、低烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羧基、烷基、烷氧基羧酸酯、酰氧基烷基、氰基、芳氧基，或R8和R9一起构成碳环或杂环结构，或R8或R9与R6或R7一起构成与五环D环融合的碳环或杂环结构。
• Process for preparation of 9,11-epoxy steroids and intermediates useful therein
  申请人：——

  公开号：US20020042507A1

  公开（公告）日：2002-04-11

  Multiple novel reaction schemes, novel process steps and novel intermediates are provided for the synthesis of epoxymexrenone and other compounds of Formula I 1 wherein: —A—A— represents the group —CHR 4 —CHR 5 — or —CR 4 ═CR 5 — R 3 , R 4 and R 5 are independently selected from the group consisting of hydrogen, halo, hydroxy, lower alkyl, lower alkoxy, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, cyano, aryloxy, R 1 represents an alpha-oriented lower alkoxycarbonyl or hydroxyalkyl radical, —B—B— represents the group —CHR 6 —CHR 7 — or an alpha- or beta-oriented group: 2 where R 6 and R 7 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, and R 8 and R 9 are independently selected from the group consisting of hydrogen, halo, lower alkoxy, acyl, hydroxyalkyl, alkoxyalkyl, hydroxycarbonyl, alkyl, alkoxycarbonyl, acyloxyalkyl, cyano, aryloxy, or R 8 and R 9 together comprise a carbocyclic or heterocyclic ring structure, or R 8 or R 9 together with R 6 or R 7 comprise a carbocyclic or heterocyclic ring structure fused to the pentacyclic D ring.

  提供了多种新颖的反应方案、新颖的工艺步骤和新颖的中间体，用于合成环氧甾酮和其他I类化合物，其中：—A—A—代表基团—CHR4—CHR5—或—CR4═CR5—R3，R4和R5分别选自氢、卤素、羟基、低级烷基、低级烷氧基、羟基烷基、烷氧基烷基、羟基羧基、氰基、芳氧基，R1代表α定向的低级烷氧羰基或羟基烷基基团，—B—B—代表基团—CHR6—CHR7—或α-或β-定向的基团：2其中，R6和R7分别选自氢、卤素、低级烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羧基、烷基、烷氧基羰基、酰氧基烷基、氰基、芳氧基，R8和R9分别选自氢、卤素、低级烷氧基、酰基、羟基烷基、烷氧基烷基、羟基羧基、烷基、烷氧基羰基、酰氧基烷基、氰基、芳氧基，或者R8和R9一起构成一个碳环或杂环结构，或者R8或R9与R6或R7一起构成一个与五环D融合的碳环或杂环结构。