Methyl 4-(acetyloxy)-15-[11-(acetyloxy)-1a-ethyl-3-oxo-1a,2,3,4,5,10,11,12,13,13a-decahydro-3,13-methano-3lambda~5~-oxireno[9,10]azacycloundecino[5,4-b]indol-11-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate | 39608-80-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 长春花生物碱
• 英文名称: Methyl 4-(acetyloxy)-15-[11-(acetyloxy)-1a-ethyl-3-oxo-1a,2,3,4,5,10,11,12,13,13a-decahydro-3,13-methano-3lambda~5~-oxireno[9,10]azacycloundecino[5,4-b]indol-11-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
• 英文别名: methyl 11-acetyloxy-4-(13-acetyloxy-18-ethyl-1-oxido-17-oxa-11-aza-1-azoniapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
• CAS: 39608-80-5
• 化学式: C46H56N4O10
• 分子量: 825.0
• InChiKey: ATTVIAQTRLLYAD-UHFFFAOYSA-N

物化性质

• 熔点：
  191-4°C (dec.).

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  60
• 可旋转键数：
  10
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  12