3-O-β-Gentiobiosyl-3β,14-dihydroxy-5α,14β-pregnan-20-one | 143773-56-2

• 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-O-β-Gentiobiosyl-3β,14-dihydroxy-5α,14β-pregnan-20-one
• 英文别名: 1-[(3S,5S,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
• CAS: 143773-56-2
• 化学式: C₃₃H₅₄O₁₃
• 分子量: 658.784
• InChiKey: WBWUKXBPKMFLHV-CXLVWPLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  216
• 氢给体数：
  8
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3-O-β-Gentiobiosyl-3β,14-dihydroxy-5α,14β-pregnan-20-one 以 乙醇 为溶剂， 反应 7.0h， 生成 3β,14-Dihydroxy-5α,14β-pregnan-20-one
  参考文献：
  名称：

  Two pregnanes from oleander leaves

  摘要：

  From leaves of Nerium indicum, along with cardenolide glycosides, two minor pregnane glucosides were isolated and the structures elucidated as 3-O-beta-gentiobiosyl-3-beta,14-dihydroxy-5-alpha,14-beta-pregnan-20-one and 21-O-beta-D-glucosyl-14,21-dihydroxy-14-beta-pregn-4-ene-3,20-dione.

  DOI：

  10.1016/0031-9422(92)83638-f

文献信息

• Two pregnanes from oleander leaves
  作者：Fumiko Abe、Tatsuo Yamauchi

  DOI：10.1016/0031-9422(92)83638-f

  日期：1992.8

  From leaves of Nerium indicum, along with cardenolide glycosides, two minor pregnane glucosides were isolated and the structures elucidated as 3-O-beta-gentiobiosyl-3-beta,14-dihydroxy-5-alpha,14-beta-pregnan-20-one and 21-O-beta-D-glucosyl-14,21-dihydroxy-14-beta-pregn-4-ene-3,20-dione.