benzyl N-[(2S)-1-[(13R,21R)-21-bromo-13,22-dihydroxydocosoxy]-3-hydroxypropan-2-yl]carbamate | 929555-78-2

• 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: benzyl N-[(2S)-1-[(13R,21R)-21-bromo-13,22-dihydroxydocosoxy]-3-hydroxypropan-2-yl]carbamate
• CAS: 929555-78-2
• 化学式: C₃₃H₅₈BrNO₆
• 分子量: 644.731
• InChiKey: QWSDDYMUCBZCFT-YKILCQELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  41
• 可旋转键数：
  29
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  108
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl N-[(2S)-1-[(13R,21R)-21-bromo-13,22-dihydroxydocosoxy]-3-hydroxypropan-2-yl]carbamate 在 吡啶 、 4-二甲氨基吡啶 、 4-(dimethylamino)pyridine hydrochloride 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Complete Structure Elucidation of Shishididemniols, Complex Lipids with Tyramine-Derived Tether and Two Serinol Units, from a Marine Tunicate of the Family Didemnidae

  摘要：

  Two new serinolipid derivatives, shishididemniols A (1) and B (2), were isolated as antibacterial constituents of a tunicate of the family Didemnidae. The structure of 1 was elucidated by interpretation of spectral data and the application of the modified Mosher method to 1 and its suitable degradation products. Compound 2 was the chlorohydrin of 1. Compounds 1 and 2 exhibited antibacterial activity against fish pathogenic bacterium Vibrio anguillarum.

  DOI：

  10.1021/jo062013m
• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 sodium periodate 、 potassium carbonate 、 magnesium bromide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 6.75h， 生成 benzyl N-[(2S)-1-[(13R,21R)-21-bromo-13,22-dihydroxydocosoxy]-3-hydroxypropan-2-yl]carbamate
  参考文献：
  名称：

  The structures of three new shishididemniols from a tunicate of the family Didemnidae

  摘要：

  Three new serinolipid derivatives, shishididemniols C (1), D (2), and E (3), were isolated as antibacterial constituents of a tunicate of the family Didemnidae. Their planar structures were elucidated by interpretation of NMR and MS data, whereas the absolute stereochemistry was determined by chemical conversions. Shishididemniols C (3), D (4), and E (5) exhibited antibacterial activity against the fish pathogenic bacterium Vibrio anguillarum. similar to 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2007.04.081