yonarasterol H | 326794-17-6

• 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: yonarasterol H
• 英文别名: (5S,6S,8S,9S,10R,11R,13R,14S,17R)-6-chloro-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-5,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-1-one
• CAS: 326794-17-6
• 化学式: C₂₈H₄₅ClO₃
• 分子量: 465.116
• InChiKey: BRCSFJAWHNPAMY-ITCPKTLZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 yonarasterol H 以 吡啶 为溶剂， 反应 6.0h， 生成 yonarasterol H monoacetate
  参考文献：
  名称：

  Three new chlorinated marine steroids, yonarasterols G, H and I, isolated from the Okinawan soft coral, Clavularia viridis

  摘要：

  Three new chlorinated marine steroids, yonarasterols G, H and I, were isolated from the Okinawan soft coral Clavularia viridis. Their structures including the absolute configuration were determined based on the results of spectroscopic analysis and chemical conversion. (C) 2001 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(00)00144-6
• 作为产物：
  描述：

  stoloniferone-c 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以1.3 mg的产率得到yonarasterol H
  参考文献：
  名称：

  Three new chlorinated marine steroids, yonarasterols G, H and I, isolated from the Okinawan soft coral, Clavularia viridis

  摘要：

  Three new chlorinated marine steroids, yonarasterols G, H and I, were isolated from the Okinawan soft coral Clavularia viridis. Their structures including the absolute configuration were determined based on the results of spectroscopic analysis and chemical conversion. (C) 2001 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(00)00144-6