(2S,4S,5R)-4-Benzoyloxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid | 270597-12-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S,4S,5R)-4-Benzoyloxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid
• 英文别名: (2S,4S,5R)-4-benzoyloxy-2-methoxy-5-methyloxane-2-carboxylic acid
• CAS: 270597-12-1
• 化学式: C₁₅H₁₈O₆
• 分子量: 294.304
• InChiKey: MRYLXSGPCUCNRS-GMXABZIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2S,4S,5R)-4-Benzoyloxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 (2S,4S,5R)-4-Hydroxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid
  参考文献：
  名称：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane from the roots of Phyllanthus emblica

  摘要：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane was isolated from the roots of Phyllanthus emblica, and its structure was fully characterized by spectroscopic and chemical means. The absolute stereochemistry was determined by applying modified Mosher's method to an opportune degradation product. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00015-0
• 作为产物：
  描述：

  (1S,3S,5R,6R,8S₁₀S,11R)-phyllaemblic acid 在 potassium permanganate 、 sodium periodate 作用下， 以 甲醇 、 水 为溶剂， 反应 5.0h， 以20 mg的产率得到(2S,4S,5R)-4-Benzoyloxy-2-methoxy-5-methyl-tetrahydro-pyran-2-carboxylic acid
  参考文献：
  名称：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane from the roots of Phyllanthus emblica

  摘要：

  Phyllaemblic acid, a novel highly oxygenated norbisabolane was isolated from the roots of Phyllanthus emblica, and its structure was fully characterized by spectroscopic and chemical means. The absolute stereochemistry was determined by applying modified Mosher's method to an opportune degradation product. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00015-0

文献信息

• Phyllaemblic acid, a novel highly oxygenated norbisabolane from the roots of Phyllanthus emblica
  作者：Ying-Jun Zhang、Takashi Tanaka、Yoko Iwamoto、Chong-Ren Yang、Isao Kouno

  DOI：10.1016/s0040-4039(00)00015-0

  日期：2000.3

  Phyllaemblic acid, a novel highly oxygenated norbisabolane was isolated from the roots of Phyllanthus emblica, and its structure was fully characterized by spectroscopic and chemical means. The absolute stereochemistry was determined by applying modified Mosher's method to an opportune degradation product. (C) 2000 Elsevier Science Ltd. All rights reserved.