(3β,9β,15α,16β,23R,24R)-15,16-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-25-en-24-yl acetate | 1140532-49-5

• 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,9β,15α,16β,23R,24R)-15,16-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-25-en-24-yl acetate
• 英文别名: 24-O-acetyl-25-anhydroshengmanol-3-O-β-D-xylopyranoside；[(1R)-1-[(1S,4R,5R,6R,8R,10R,11R,12S,13R,16R,18S,21R)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]-2-methylprop-2-enyl] acetate
• CAS: 1140532-49-5
• 化学式: C₃₇H₅₈O₁₀
• 分子量: 662.862
• InChiKey: HUUPJZBIUHGBDE-SZNKUJBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  155
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (3β,9β,15α,16β,23R,24R)-15,16-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-25-en-24-yl acetate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以4.6 mg的产率得到25-anhydrocimigenol-3-O-β-xyloside
  参考文献：
  名称：

  从根茎四新9,19-环羊毛甾烷衍生物升麻云南萧

  摘要：

  Abstractmagnified imageFour new 9,19‐cyclolanostane‐type triterpenes, 24‐O‐acetyl‐25‐anhydroshengmanol‐3‐O‐β‐D‐xylopyranoside (1), 25‐O‐butylcimigenol‐3‐O‐β‐D‐xylopyranoside (2), 12‐β‐hydrocimigenol‐3‐one (3), and 12‐β‐hydrocimigenol‐1‐en‐3‐one (4), together with 15 known analogues were isolated from the rhizome of Cimicifuga yunnanensis Hsiao. Their structures were determined by spectroscopic and chemical methods.

  DOI：

  10.1002/hlca.200800231