methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17R)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-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 | 632327-99-2

• 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 (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17R)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-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: 632327-99-2
• 化学式: C₄₆H₅₈N₄O₈
• 分子量: 794.989
• InChiKey: AGKYIOIIEPFTEV-XAYRGYGFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  58
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以80%的产率得到20'-deoxyvinblastine
  参考文献：
  名称：

  Syntheses of 20'-deoxyvinblastine, 20'-deoxyleurosidine, 20'-deoxyvincovaline, 20'-epi-20'-deoxyvincovaline, and 20'-deoxyvincristine and its 20'-epimer through racemic and enantioselectively generated intermediates. New syntheses of D/E-cis- and trans-.PSI.-vincadifformines and D/E-cis- and -trans-20-epi-.PSI.-vincadifformines

  摘要：

  DOI：

  10.1021/jo00275a029

文献信息

• Kutney, James Peter; Choi, Lewis Siu Leung; Nakano, Jun, Heterocycles, 1988, vol. 27, # 8, p. 1837 - 1844
  作者：Kutney, James Peter、Choi, Lewis Siu Leung、Nakano, Jun、Tsukamoto, Hiroki

  DOI：——

  日期：——
• Syntheses of 20'-deoxyvinblastine, 20'-deoxyleurosidine, 20'-deoxyvincovaline, 20'-epi-20'-deoxyvincovaline, and 20'-deoxyvincristine and its 20'-epimer through racemic and enantioselectively generated intermediates. New syntheses of D/E-cis- and trans-.PSI.-vincadifformines and D/E-cis- and -trans-20-epi-.PSI.-vincadifformines
  作者：Martin E. Kuehne、William G. Bornmann

  DOI：10.1021/jo00275a029

  日期：1989.7