(2R,2a'S,4'S,6a'S,6b'S,8'R,8a'S,8b'R,9'S,11a'S,12a'S,12b'R)-5,5,6a',8a',9'-pentamethylicosahydro-3H-spiro[furan-2,10'-naphtho[2',1':4,5]indeno[2,1-b]furan]-4',8'-diyl diacetate | 249744-52-3

• 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: (2R,2a'S,4'S,6a'S,6b'S,8'R,8a'S,8b'R,9'S,11a'S,12a'S,12b'R)-5,5,6a',8a',9'-pentamethylicosahydro-3H-spiro[furan-2,10'-naphtho[2',1':4,5]indeno[2,1-b]furan]-4',8'-diyl diacetate
• CAS: 249744-52-3
• 化学式: C₃₁H₄₈O₆
• 分子量: 516.719
• InChiKey: LWAYTCAQHFGELS-HOYKOAGFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.05
• 重原子数：
  37.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (2R,2a'S,4'S,6a'S,6b'S,8'R,8a'S,8b'R,9'S,11a'S,12a'S,12b'R)-5,5,6a',8a',9'-pentamethylicosahydro-3H-spiro[furan-2,10'-naphtho[2',1':4,5]indeno[2,1-b]furan]-4',8'-diyl diacetate 在 potassium hydrogencarbonate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  On topography and functionality in the B-D rings of cephalostatin cytotoxins

  摘要：

  Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related. compounds provide insight into the importance of topography and certain chemical functionality in the B-D and B'-D' rings of cephalostatin type antineoplastics. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00430-8
• 作为产物：
  描述：

  在 三(三甲基硅基)硅烷 作用下， 以85%的产率得到(2R,2a'S,4'S,6a'S,6b'S,8'R,8a'S,8b'R,9'S,11a'S,12a'S,12b'R)-5,5,6a',8a',9'-pentamethylicosahydro-3H-spiro[furan-2,10'-naphtho[2',1':4,5]indeno[2,1-b]furan]-4',8'-diyl diacetate
  参考文献：
  名称：

  On topography and functionality in the B-D rings of cephalostatin cytotoxins

  摘要：

  Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related. compounds provide insight into the importance of topography and certain chemical functionality in the B-D and B'-D' rings of cephalostatin type antineoplastics. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00430-8