27-(3-Benzylphenyl)-13-cyclopentyl-6-(4-hydroxy-1-methoxybutan-2-yl)-7-(hydroxymethyl)-36-(1-hydroxypropan-2-ylidene)-4,12,32,34-tetraoxaheptacyclo[18.12.6.02,11.03,8.013,33.018,23.024,29]octatriaconta-2(11),3(8),6,9,18(23),19,21-heptaen-15-yne-5,31,35-trione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 27-(3-Benzylphenyl)-13-cyclopentyl-6-(4-hydroxy-1-methoxybutan-2-yl)-7-(hydroxymethyl)-36-(1-hydroxypropan-2-ylidene)-4,12,32,34-tetraoxaheptacyclo[18.12.6.02,11.03,8.013,33.018,23.024,29]octatriaconta-2(11),3(8),6,9,18(23),19,21-heptaen-15-yne-5,31,35-trione
• 英文别名: 27-(3-benzylphenyl)-13-cyclopentyl-6-(4-hydroxy-1-methoxybutan-2-yl)-7-(hydroxymethyl)-36-(1-hydroxypropan-2-ylidene)-4,12,32,34-tetraoxaheptacyclo[18.12.6.02,11.03,8.013,33.018,23.024,29]octatriaconta-2(11),3(8),6,9,18(23),19,21-heptaen-15-yne-5,31,35-trione
• 化学式: C₆₁H₆₆O₁₁
• 分子量: 975.2
• InChiKey: GXBMMVMYBZJIMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  72
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11