(2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,8-dione | 57458-57-8

• 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: (2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,8-dione
• 英文别名: (10R,13R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
• CAS: 57458-57-8
• 化学式: C₂₉H₄₆O₂
• 分子量: 426.7
• InChiKey: UVFOCYGYACXLAY-UQYXHCMHSA-N

物化性质

• 沸点：
  523.4±20.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)
• 物理描述：
  Solid
• 熔点：
  170-172°C

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,8-dione 在 甲醇 、 sodium tetrahydroborate 作用下， 以73.3 %的产率得到stigmast-4-en-3β,6α-diol
  参考文献：
  名称：

  Exploring Cassia mimosoïdes as a promising natural source of steroids with potent anti-cancer, urease inhibition, and antimicrobial properties

  摘要：

  The current research discusses the spectroscopic elucidation of the structure and enzymatic activity in silico and in vitro of fifteen known compounds, as well as a new unidentified avenasterol derivative called 21-methylene-24-ethylidene lophenol, from the genus Cassia.

  DOI：

  10.1039/d3ra08913d

文献信息

• Exploring <i>Cassia mimosoïdes</i> as a promising natural source of steroids with potent anti-cancer, urease inhibition, and antimicrobial properties
  作者：Robert Viani Kepdieu Tchebou、Umar Farooq、Rémy Bertrand Teponno、Tanveer A. Wani、Léon Azefack Tapondjou、Azhar Rasool、Rizwana Sarwar、Aneela Khushal、Syed Majid Bukhari、Seema Zargar、Hong-Guang Xu、Sara Khan

  DOI：10.1039/d3ra08913d

  日期：2024.3.14

  The current research discusses the spectroscopic elucidation of the structure and enzymatic activity in silico and in vitro of fifteen known compounds, as well as a new unidentified avenasterol derivative called 21-methylene-24-ethylidene lophenol, from the genus Cassia.