| 946831-50-1

• 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
• CAS: 946831-50-1
• 化学式: C₅₃H₇₆N₂O₆
• 分子量: 837.196
• InChiKey: JZOMMGBLEWCGNI-RGTCFPNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.51
• 重原子数：
  61.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  124.96
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以70%的产率得到(3R)-1-[(S)-1-phenylethyl]mevalonamide
  参考文献：
  名称：

  A refined method for determining the absolute configuration of the 3-hydroxy-3-methylglutaryl group

  摘要：

  A refined method for the determination of the absolute configuration of the 3-hydroxy-3-methylglutaryl group in natural products was developed. An interchange between the order of reduction with lithium borohydride and amidation with a chiral amine described in the previous procedure resulted in a high yield of the desired derivative. The refined method is applicable to various natural products with the 3-hydroxy-3-methylglutaryl group, even if their available amounts are 0.1 mg. The absolute configuration of the group in the lanostane-type triterpene acid, which had been isolated in a small amount, was established as S. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.05.013
• 作为产物：
  描述：

  (S)-(-)- α-甲基苄胺 、 (25S,3'S)-(+)-12α-hydroxy-3α-(3'-hydroxy-3'-methylglutaryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以100%的产率得到
  参考文献：
  名称：

  A refined method for determining the absolute configuration of the 3-hydroxy-3-methylglutaryl group

  摘要：

  A refined method for the determination of the absolute configuration of the 3-hydroxy-3-methylglutaryl group in natural products was developed. An interchange between the order of reduction with lithium borohydride and amidation with a chiral amine described in the previous procedure resulted in a high yield of the desired derivative. The refined method is applicable to various natural products with the 3-hydroxy-3-methylglutaryl group, even if their available amounts are 0.1 mg. The absolute configuration of the group in the lanostane-type triterpene acid, which had been isolated in a small amount, was established as S. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.05.013