24-O-acetylisodahurinol-3-O-[2′-O-acetyl]-α-L-arabinopyranoside | 1316305-59-5

• 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: 24-O-acetylisodahurinol-3-O-[2′-O-acetyl]-α-L-arabinopyranoside
• 英文别名: 2',24-di-O-acetylisodahurinol-3-O-α-L-arabinopyranoside；[(2S,3R,4S,5S)-2-[[(1S,4R,5R,6R,8R,10R,12S,13R,16R,18S,21R)-8-[(1S)-1-acetyloxy-2-hydroxy-2-methylpropyl]-4,6,12,17,17-pentamethyl-11-oxo-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
• CAS: 1316305-59-5
• 化学式: C₃₉H₆₀O₁₁
• 分子量: 704.899
• InChiKey: HOEACCWXJIUNFZ-NFZUVAQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  50
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  24-O-acetylisodahurinol-3-O-[2′-O-acetyl]-α-L-arabinopyranoside 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 24-O-acetylisodahurinol-3-O-α-L-arabinopyranoside
  参考文献：
  名称：

  来自 Cimicifuga foetida Linnaeus 地上部分的环烷烃三萜类化合物

  摘要：

  Cycloartane 三萜、2',24-O-diacetylisodahurinol-3-O-α-L-arabinopyranoside、24-O-acetylisodahurinol-3-O-α-L-arabinopyranoside、12β-hydroxy-25-anhydrocimigenol、cimigenol-12-一、12β-羟基-15-脱氧香茅醇、2'-O-乙酰基-24-epi-cimigenol-3-O-α-L-阿拉伯吡喃糖苷、2'-O-乙酰基香茅醇-3-O-β-D-吡喃木糖苷， 25-anhydrocimigenol-3-O-α-L-arabinopyranoside, 2',23-O-diacetylshengmanol-3-O-α-L-arabinopyranoside, 和 2',24-O-diacetyl-25-anhydroshengmanol-3-O -α-

  DOI：

  10.1016/j.phytochem.2011.03.022

文献信息

• Cycloartane triterpenoids from the aerial parts of Cimicifuga foetida Linnaeus
  作者：Yin Nian、Xian-Min Zhang、Yan Li、Yuan-Yuan Wang、Jian-Chao Chen、Lu Lu、Lin Zhou、Ming-Hua Qiu

  DOI：10.1016/j.phytochem.2011.03.022

  日期：2011.8

  were isolated from aerial parts of Cimicifuga foetida. Their structures were determined by application of spectroscopic analyses and chemical methods. Biological evaluation of the compounds against human HL-60, SMMC-7721, A549, SK-BR-3, and PANC-1 cell lines indicated that three of these compounds exhibited broad-spectrum and moderate cytotoxic activities, with IC₅₀ values ranging from 6.20 to 22.74

  Cycloartane 三萜、2',24-O-diacetylisodahurinol-3-O-α-L-arabinopyranoside、24-O-acetylisodahurinol-3-O-α-L-arabinopyranoside、12β-hydroxy-25-anhydrocimigenol、cimigenol-12-一、12β-羟基-15-脱氧香茅醇、2'-O-乙酰基-24-epi-cimigenol-3-O-α-L-阿拉伯吡喃糖苷、2'-O-乙酰基香茅醇-3-O-β-D-吡喃木糖苷， 25-anhydrocimigenol-3-O-α-L-arabinopyranoside, 2',23-O-diacetylshengmanol-3-O-α-L-arabinopyranoside, 和 2',24-O-diacetyl-25-anhydroshengmanol-3-O -α-