(+/-)-3-methoxy-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthrene | 88261-02-3

• 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-methoxy-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthrene
• 英文别名: (+/-)-3-Methoxy-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthren；(13S,14R)-3-methoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene
• CAS: 88261-02-3
• 化学式: C₁₉H₂₂O
• 分子量: 266.383
• InChiKey: AYNBHFXQSAXGIH-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (+/-)-3-methoxy-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthrene 在 selenium 作用下， 生成 16,17-dihydro-3-methoxy-15H-cyclopentaphenanthren-17-one
  参考文献：
  名称：

  Cohen et al., Journal of the Chemical Society, 1934, p. 653,656

  摘要：

  DOI：
• 作为产物：
  描述：

  (+/-)-3-methoxy-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-cyclopenta[a]phenanthren-11-one 在 氢氧化钾 、 一水合肼 、 二乙二醇 作用下， 生成 (+/-)-3-methoxy-13-methyl-(13r,14t)-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthrene
  参考文献：
  名称：

  Synthesis of Hydroaromatic Compounds Containing Angular Methyl Groups. V. Equilenin Series

  摘要：

  DOI：

  10.1021/ja01591a080

文献信息

• ENT-STEROIDS AS SELECTIVELY ACTIVE ESTROGENS
  申请人：Schering Aktiengesellschaft

  公开号：EP1169336B1

  公开（公告）日：2006-02-01
• The Stereochemical Course of Hydrogenation of Ring D-Unsaturated Equilenane Derivatives
  作者：A. L. Wilds、James A. Johnson、Reid E. Sutton

  DOI：10.1021/ja01168a044

  日期：1950.12
• [EN] ENT-STEROIDS AS SELECTIVELY ACTIVE ESTROGENS<br/>[FR] ENT-STEROIDES UTILISES COMME OESTROGENES SELECTIVEMENT ACTIFS
  申请人：SCHERING AG

  公开号：WO2000063228A1

  公开（公告）日：2000-10-26

  This invention describes the new ent-steroids of general formula (I) in which R?1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11 and R19¿ have the meanings that are indicated in the description, as pharmaceutical active ingredients that in vitro have a higher affinity to estrogen receptor preparations of rat prostates than to estrogen receptor preparations from rat uteri and in vivo preferably a preferential action on bone rather than the uterus and/or pronounced action with respect to stimulation of the expression of 5HT2a-receptors and transporters, their production, their therapeutic use and pharmaceutical forms for dispensing, which contain the new compounds. The invention also describes the use of steroids, on which the (8α-H, 9β-H, 10α-H, 13α-H, 14β-H)-gonane skeleton is based, for treatment of estrogen-deficiency-induced diseases and conditions.