(2R,3S,4S,5R,6R)-2-Hydroxymethyl-6-[(R)-1-methyl-3-(2,6,6-trimethyl-cyclohex-2-enyl)-propoxy]-tetrahydro-pyran-3,4,5-triol | 347852-06-6

• 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: (2R,3S,4S,5R,6R)-2-Hydroxymethyl-6-[(R)-1-methyl-3-(2,6,6-trimethyl-cyclohex-2-enyl)-propoxy]-tetrahydro-pyran-3,4,5-triol
• CAS: 347852-06-6
• 化学式: C₁₉H₃₄O₆
• 分子量: 358.475
• InChiKey: JUIDHXRWHHXCSE-PNUPRBHHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  99.38
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,4S,5R,6R)-2-Hydroxymethyl-6-[(R)-1-methyl-3-(2,6,6-trimethyl-cyclohex-2-enyl)-propoxy]-tetrahydro-pyran-3,4,5-triol 在 β-glucosidase from sweet almond 作用下， 以 acetate buffer 为溶剂， 反应 16.0h， 以55%的产率得到7,8-dihydro-α-ionol
  参考文献：
  名称：

  The (3 R ,9 R )-3-hydroxy-7,8-dihydro-β-ionol disaccharide glycoside is an aroma precursor in tea leaves

  摘要：

  The disaccharide glycoside, (3R,9R)-3-hydroxy-7,8-dihydro-beta -ionyl 6-O-beta -D-apiofuranosyl-beta -D-glucopyranoside was isolated as an aroma precursor from the leaves of Camellia sinensis var. sinensis cv. Yabukita. Its stereochemistry was elucidated on the basis of spectral data and chemical synthesis. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00361-7
• 作为产物：
  描述：

  在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以90%的产率得到(2R,3S,4S,5R,6R)-2-Hydroxymethyl-6-[(R)-1-methyl-3-(2,6,6-trimethyl-cyclohex-2-enyl)-propoxy]-tetrahydro-pyran-3,4,5-triol
  参考文献：
  名称：

  The (3 R ,9 R )-3-hydroxy-7,8-dihydro-β-ionol disaccharide glycoside is an aroma precursor in tea leaves

  摘要：

  The disaccharide glycoside, (3R,9R)-3-hydroxy-7,8-dihydro-beta -ionyl 6-O-beta -D-apiofuranosyl-beta -D-glucopyranoside was isolated as an aroma precursor from the leaves of Camellia sinensis var. sinensis cv. Yabukita. Its stereochemistry was elucidated on the basis of spectral data and chemical synthesis. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00361-7