(R)-4-((4S,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-4-hydroxy-10-methoxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutyl acetate | 1164104-13-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (R)-4-((4S,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-4-hydroxy-10-methoxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutyl acetate
• CAS: 1164104-13-5
• 化学式: C₃₀H₄₈O₅
• 分子量: 488.708
• InChiKey: KYMNVYIWUAHDGF-MVDZSTPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.89
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  64.99
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-4-((4S,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-4-hydroxy-10-methoxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutyl acetate 在 N-碘代丁二酰亚胺 、 三氟甲磺酸三甲基硅酯 作用下， 生成 (R)-4-((4S,6aR,6bS,8aS,8bS,11aS,12aS,12bS)-4-hydroxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutyl acetate
  参考文献：
  名称：

  Synthesis and cytotoxicities of icogenin analogues with disaccharide residues

  摘要：

  For further structure-activity relationships (SAR) research of furostan saponin, two icogenin analogues: (25R)-22-O-methyl-furost-5-en-3 beta, 26-diol-3-O-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-glucopyranoside 1 and (25R)-22-O-methyl-furost-5-en-3 beta, 26-diol-3-O-alpha-L-rhamnopyranosyl-(1 -> 2)-alpha-D-glucopyranoside 2, with valuable disaccharide moieties, were synthesized from diosgenin through eight steps. Both of the analogues behaved the similar cytotoxic activities with icogenin, towards nine types of human tumor cells herein. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.092
• 作为产物：
  描述：

  甲醇 、 (22R,25R)-26-acetyloxy-3β-tert-butyldimethylsilyloxyfurost-5-en-22-ol 以 二氯甲烷 为溶剂， 反应 1.0h， 以90%的产率得到(R)-4-((4S,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-4-hydroxy-10-methoxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutyl acetate
  参考文献：
  名称：

  Synthesis and cytotoxicities of icogenin analogues with disaccharide residues

  摘要：

  For further structure-activity relationships (SAR) research of furostan saponin, two icogenin analogues: (25R)-22-O-methyl-furost-5-en-3 beta, 26-diol-3-O-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-glucopyranoside 1 and (25R)-22-O-methyl-furost-5-en-3 beta, 26-diol-3-O-alpha-L-rhamnopyranosyl-(1 -> 2)-alpha-D-glucopyranoside 2, with valuable disaccharide moieties, were synthesized from diosgenin through eight steps. Both of the analogues behaved the similar cytotoxic activities with icogenin, towards nine types of human tumor cells herein. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.092