9-oxo-16-β-[(D-xylopyranosyl)oxy]hexadecanoic acid | 1191072-60-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 9-oxo-16-β-[(D-xylopyranosyl)oxy]hexadecanoic acid
• 英文别名: 9-oxo-16-[(β-D-xylopyranosyl)oxy]hexadecanoic acid
• CAS: 1191072-60-2
• 化学式: C₂₁H₃₈O₈
• 分子量: 418.528
• InChiKey: AKKZTSRVDKSHDC-GFOJFJKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  29.0
• 可旋转键数：
  17.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  133.52
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  9-oxo-16-β-[(D-xylopyranosyl)oxy]hexadecanoic acid 在 硫酸 、 水 作用下， 反应 2.0h， 以5 mg的产率得到16-hydroxy-9-oxo-hexadecanoic acid
  参考文献：
  名称：

  Cytotoxic 16-β-[(d-xylopyranosyl)oxy]oxohexadecanyl triterpene glycosides from a Malagasy plant, Physena sessiliflora

  摘要：

  Brine shrimp lethality assay-guided separation of the MeOH extract of leaves of Physena sessiliflora, which is endemic to Madagascar, afforded eight triterpene glycosides Physenoside S1-4 and 16-beta-[(D-Xylopyranosyl)oxy]oxohexadecanyl homologues, Physenoside S5-8. Structural elucidation of these compounds was based on both spectroscopic analyses and chemical properties. Physenoside S7 and S8 have significant cytotoxic activities in the brine shrimp lethality assay. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2009.06.002
• 作为产物：
  描述：

  人参皂苷S8 在 水 、 potassium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 0.25h， 生成 9-oxo-16-β-[(D-xylopyranosyl)oxy]hexadecanoic acid
  参考文献：
  名称：

  Cytotoxic 16-β-[(d-xylopyranosyl)oxy]oxohexadecanyl triterpene glycosides from a Malagasy plant, Physena sessiliflora

  摘要：

  Brine shrimp lethality assay-guided separation of the MeOH extract of leaves of Physena sessiliflora, which is endemic to Madagascar, afforded eight triterpene glycosides Physenoside S1-4 and 16-beta-[(D-Xylopyranosyl)oxy]oxohexadecanyl homologues, Physenoside S5-8. Structural elucidation of these compounds was based on both spectroscopic analyses and chemical properties. Physenoside S7 and S8 have significant cytotoxic activities in the brine shrimp lethality assay. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2009.06.002