3β,4β-dihydroxy-2β-acetoxypregnan-16-one | 1012866-61-3

• 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: 3β,4β-dihydroxy-2β-acetoxypregnan-16-one
• 英文别名: [(2S,3R,4R,5R,8R,9S,10R,13S,14S,17R)-17-ethyl-3,4-dihydroxy-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate
• CAS: 1012866-61-3
• 化学式: C₂₃H₃₆O₅
• 分子量: 392.536
• InChiKey: SCCGQICCMKBLST-CEQIMMHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3β,4β-dihydroxy-2β-acetoxypregnan-16-one 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 反应 0.17h， 以24 mg的产率得到2β,3β,4β-trihydroxypregnan-16-one
  参考文献：
  名称：

  Terpenoids from the Stems of Cipadessa baccifera

  摘要：

  In our systematical investigation on Chinese Meliaceae plants, the stems of Cipadessa baccifera collected in Yunnan province were studied. Two new tetranortriterpenoids, cipadessalide (1) and rubralin D (2), one new pregnane, 3 beta,4 beta-dihydroxy-2 beta-acetoxypregnan-16-one (3), and two new sesquiterpenoids, bacciferins A (4) and B (5), along with 10 known compounds were isolated. Their structures were elucidated by ID and 2D NMR spectra and other spectroscopic studies, as well as chemical conversion.

  DOI：

  10.1021/np070674o