3,6-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

• 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: 3,6-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
• 化学式: C₁₈H₁₈O₃
• 分子量: 282.3
• InChiKey: QULSEUXKFQHXEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 6-OXYGENATED STEROIDAL ESTROGENS WITH AROMATIC A AND B RINGS
  申请人：Barr Laboratories, Inc.

  公开号：EP1263770B1

  公开（公告）日：2007-11-07
• NOVEL ESTROGENIC COMPOUNDS
  申请人：Hill N. Edward

  公开号：US20070142307A1

  公开（公告）日：2007-06-21

  Novel estrogenic compounds of Formula I are provided. wherein the bond represented by the wavy line may be a single or double bond such that when the wavy line is a single bond, R 1 is selected from the group consisting of hydrogen, sulfate and glucoronate or other esters, and when the wavy line is a double bond, R 1 does not exist; R 2 is lower alkyl; R 3 may be selected from the group consisting of hydrogen, sulfate, or glucuronide or other esters; and R 4 through R 13 may independently be selected from the group consisting of hydrogen, hydroxy, ketone, lower alkyl, lower alkoxy, halogen, and carbonyl groups and R 14 is selected from the group consisting of hydrogen, sulfate and glucoronide and other esters. When R 1 is hydroxy, the hydroxy or ester substituent may have either an α or a β orientation. Compositions of matter including compounds of the present invention are also provided as are methods of treating mammals in need of treatment using compounds of the present invention.
• Novel Estrogenic Compounds
  申请人：Hill Edward N.

  公开号：US20100234330A1

  公开（公告）日：2010-09-16

  Novel estrogenic compounds of Formula I are provided. wherein the bond represented by the wavy line may be a single or double bond such that when the wavy line is a single bond, R 1 is selected from the group consisting of hydrogen, sulfate and glucoronate or other esters, and when the wavy line is a double bond, R 1 does not exist; R 2 is lower alkyl; R 3 may be selected from the group consisting of hydrogen, sulfate, or glucuronide or other esters; and R 4 through R 13 may independently be selected from the group consisting of hydrogen, hydroxy, ketone, lower alkyl, lower alkoxy, halogen, and carbonyl groups and R 14 is selected from the group consisting of hydrogen, sulfate and glucoronide and other esters. When R 1 is hydroxy, the hydroxy or ester substituent may have either an α or a β orientation. Compositions of matter including compounds of the present invention are also provided as are methods of treating mammals in need of treatment using compounds of the present invention.
• US7179799B2
  申请人：——

  公开号：US7179799B2

  公开（公告）日：2007-02-20
• US7235539B2
  申请人：——

  公开号：US7235539B2

  公开（公告）日：2007-06-26