Acetic acid (5R,8R,9R,10R,12R,13R,14R,17S)-17-[(S)-1,5-dimethyl-1-((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-hex-4-enyl]-4,4,8,10,14-pentamethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-12-yl ester | 117562-59-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Acetic acid (5R,8R,9R,10R,12R,13R,14R,17S)-17-[(S)-1,5-dimethyl-1-((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-hex-4-enyl]-4,4,8,10,14-pentamethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-12-yl ester
• 英文别名: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S)-2-[(5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxan-2-yl]methyl acetate
• CAS: 117562-59-1
• 化学式: C₄₆H₇₀O₁₃
• 分子量: 831.054
• InChiKey: UEYNZEYOKZJZJA-RTJWZXFXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  59
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  167
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  12β,20S-dihydroxydammar-24-en-3-one 、 乙酸酐 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 在 silver(l) oxide 作用下， 生成 Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[(5R,8R,9R,10R,12R,13R,14R,17S)-17-((S)-1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-12-yloxy]-tetrahydro-pyran-3-yl ester 、 Acetic acid (5R,8R,9R,10R,12R,13R,14R,17S)-17-[(S)-1,5-dimethyl-1-((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-hex-4-enyl]-4,4,8,10,14-pentamethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-12-yl ester
  参考文献：
  名称：

  Glycosylation of triterpenoids of the dammarane series. VIII. Dammarane hydroxyketone ?-D-glycopyranosides

  摘要：

  DOI：

  10.1007/bf00596774