(2R,3R,4S,5R)-2-((benzoyloxy)methyl)-6-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate | 1260029-18-2

• 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: (2R,3R,4S,5R)-2-((benzoyloxy)methyl)-6-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
• CAS: 1260029-18-2
• 化学式: C₆₁H₇₂O₁₀
• 分子量: 965.237
• InChiKey: KSVPGSJKVQUDCL-BOUXTANOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.67
• 重原子数：
  71.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  123.66
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5R)-2-((benzoyloxy)methyl)-6-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate 在 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 cholesterylglycoside
  参考文献：
  名称：

  Cholesterol-derived novel anti-apoptotic agents on the structural basis of ginsenoside Rk1

  摘要：

  Design and synthesis of cholesterol-derived anti-apoptotic agents were described. The synthesized cholesterol analogs designed on the structural basis of ginsenoside Rk1 inhibited the undesirable apoptosis of human endothelial cells, which are induced by a vascular injury. In particular, analogue 1 possessing 4,6di-O-acetyl-2,3-dideoxyhex-2-enopyran linked to hydroxyl group of cholesterol exhibited the most effective anti-apoptotic activities at both 5 and 10 mu g/ml. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.071
• 作为产物：
  描述：

  胆固醇 、 2,3,4,6-tetra-O-benzoyl-D-glucopyranosyl bromide 在 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到(2R,3R,4S,5R)-2-((benzoyloxy)methyl)-6-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
  参考文献：
  名称：

  Cholesterol-derived novel anti-apoptotic agents on the structural basis of ginsenoside Rk1

  摘要：

  Design and synthesis of cholesterol-derived anti-apoptotic agents were described. The synthesized cholesterol analogs designed on the structural basis of ginsenoside Rk1 inhibited the undesirable apoptosis of human endothelial cells, which are induced by a vascular injury. In particular, analogue 1 possessing 4,6di-O-acetyl-2,3-dideoxyhex-2-enopyran linked to hydroxyl group of cholesterol exhibited the most effective anti-apoptotic activities at both 5 and 10 mu g/ml. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.071