(5E,13E)-(2S,3aR,4R,10S,14aS)-2,4-bis-(tert-butyldimethylsilyloxy)-9-methyl-1,2,3,3a,4,9,10,11,12,14a-decahydro-8-oxacyclopentacyclotridecen-7-one | 177960-81-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (5E,13E)-(2S,3aR,4R,10S,14aS)-2,4-bis-(tert-butyldimethylsilyloxy)-9-methyl-1,2,3,3a,4,9,10,11,12,14a-decahydro-8-oxacyclopentacyclotridecen-7-one
• 英文别名: brefeldin A 4,7-di-O-tert-butyldimethylsilyl ether；(1R,6S,11aS,13S,14aR)-1,13-bis{[tert-butyl(dimethyl)silyl]oxy}-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one；(1R,2E,6S,10E,11aS,13S,14aR)-1,13-bis(tert-butyldimethylsilyloxy)-6-methyl-6,7,8,9,12,13,14,14a-octahydro-1H( f)(1)-oxacyclotridecin-4-(11aH)-one；(1R,2E,6S,10E,11aS,13S,14aR)-1,13-bis[(tert-butyldimethylsilyl)oxy]-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f][1]oxacyclotridecin-4-one；(1R,2R,3E,7S,11E,13S,15S)-2,15-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
• CAS: 177960-81-5
• 化学式: C₂₈H₅₂O₄Si₂
• 分子量: 508.889
• InChiKey: BHSFBJFMIRDDEL-ZUVJBVEQSA-N

物化性质

• 沸点：
  527.9±50.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.02
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4