7β-hydroxy-23-O-acetylshengmanol 3-β-D-xylopyranoside

• 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: 7β-hydroxy-23-O-acetylshengmanol 3-β-D-xylopyranoside
• 英文别名: [(1R,3R)-3-[(1S,3R,6S,10S,11R,12S,13R,15R,16R)-10,13-dihydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-1-[(2S)-3,3-dimethyloxiran-2-yl]butyl] acetate
• 化学式: C₃₇H₅₈O₁₁
• 分子量: 678.861
• InChiKey: RXFQHRCATQKWNA-UYBAUGPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  176
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  7β-hydroxy-23-O-acetylshengmanol 3-β-D-xylopyranoside 在 吡啶 、 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 3-O-acetyl-7β-hydroxycimigenol
  参考文献：
  名称：

  Studies on the Constituents of Cimicifuga Species. XIV. A New Xyloside from the Aerial Parts of Cimicifuga simplex WORMSK.

  摘要：

  A new xyloside (I), mp 252-253°C, C37H<58>O<11>, [α]D -51.4°, obtained from the methanolic extract of the aerial parts of Cimicifuga simplex was characterized as 7β-hydroxy-23-O-acetylshengmanol 3-O-β-D-xylopyranoside. A new triterpene (V), 7β-hydroxycimigenol, was also obtained as an aglycone of a glycoside mixture.

  DOI：

  10.1248/cpb.42.1106

文献信息

• Studies on the Constituents of Cimicifuga Species. XIV. A New Xyloside from the Aerial Parts of Cimicifuga simplex WORMSK.
  作者：Genjiro KUSANO、Mayumi IDOJI、Yoshie SOGOH、Makio SHIBANO、Akiko KUSANO、Takashi IWASHITA

  DOI：10.1248/cpb.42.1106

  日期：——

  A new xyloside (I), mp 252-253°C, C37H<58>O<11>, [α]D -51.4°, obtained from the methanolic extract of the aerial parts of Cimicifuga simplex was characterized as 7β-hydroxy-23-O-acetylshengmanol 3-O-β-D-xylopyranoside. A new triterpene (V), 7β-hydroxycimigenol, was also obtained as an aglycone of a glycoside mixture.