(1S,2R,4R,5S)-1-[(1S,3R,5S,7R,9S,11S,14R,16S,18R,20S,24R,26S,28R,30S,32R,35R,37S,39R,42S,44R)-35-hydroxy-14,16,18,32,34,34,39,42,44-nonamethyl-2,6,10,15,19,25,29,33,38,43-decaoxadecacyclo[22.21.0.03,20.05,18.07,16.09,14.026,44.028,42.030,39.032,37]pentatetracont-21-en-11-yl]-4,5-dimethyloct-7-ene-1,2-diol

• 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: (1S,2R,4R,5S)-1-[(1S,3R,5S,7R,9S,11S,14R,16S,18R,20S,24R,26S,28R,30S,32R,35R,37S,39R,42S,44R)-35-hydroxy-14,16,18,32,34,34,39,42,44-nonamethyl-2,6,10,15,19,25,29,33,38,43-decaoxadecacyclo[22.21.0.03,20.05,18.07,16.09,14.026,44.028,42.030,39.032,37]pentatetracont-21-en-11-yl]-4,5-dimethyloct-7-ene-1,2-diol
• 化学式: C₅₄H₈₆O₁₃
• 分子量: 943.3
• InChiKey: PVLRTPXCGWQHPQ-HRUXKKFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  67
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  153
• 氢给体数：
  3
• 氢受体数：
  13