4-[(3S,5S,7S,10S,13R,14S,17R)-3,7,14-三羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊烯并[a]菲-17-基]-5H-呋喃-2-酮 | 1173-21-3

• 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
• 中文名称: 4-[(3S,5S,7S,10S,13R,14S,17R)-3,7,14-三羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊烯并[a]菲-17-基]-5H-呋喃-2-酮
• 英文名称: 7β-hydroxydigitoxigenin
• 英文别名: 7-beta-Hydroxydigitoxigenin；3-[(3S,5S,7S,8S,9S,10S,13R,14S,17R)-3,7,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• CAS: 1173-21-3
• 化学式: C₂₃H₃₄O₅
• 分子量: 390.52
• InChiKey: JDQWKADNJIUBND-ANHVKYHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7β-Hydroxydigitoxin 在 acid 作用下， 生成 4-[(3S,5S,7S,10S,13R,14S,17R)-3,7,14-三羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊烯并[a]菲-17-基]-5H-呋喃-2-酮
  参考文献：
  名称：

  7β -hydroxycardenolide glycosides

  摘要：

  The microbial transformation of digitoxin (I) by Streptomyces sp. yielded digoxin (III) as main product along with the by-products 7beta -hydroxydigitoxin (II) and 7beta -hydroxydigoxin (IV). The present paper is concerned with the structure elucidation of 7beta-hydroxycardenolides as well as with the formation of some of their derivatives.

  DOI：

  10.1016/0039-128x(81)90017-9

文献信息

• 7β -hydroxycardenolide glycosides
  作者：Z. Szeleczky、M. Sóti、Gy. Horváth、K. Albrecht

  DOI：10.1016/0039-128x(81)90017-9

  日期：1981.7

  The microbial transformation of digitoxin (I) by Streptomyces sp. yielded digoxin (III) as main product along with the by-products 7beta -hydroxydigitoxin (II) and 7beta -hydroxydigoxin (IV). The present paper is concerned with the structure elucidation of 7beta-hydroxycardenolides as well as with the formation of some of their derivatives.