sesterstatin 7 | 301842-59-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: sesterstatin 7
• 英文别名: [(4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
• CAS: 301842-59-1
• 化学式: C₂₇H₄₀O₅
• 分子量: 444.612
• InChiKey: LOCDSBKFSVHNIV-XPSVZDKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  sesterstatin 7 在 六甲基磷酰三胺 、 samarium diiodide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.17h， 生成 Δ¹⁶-scalarolide
  参考文献：
  名称：

  Three New Scalarane Sesterterpenoids from the Okinawan Sponge Hyrtios erectus

  摘要：

  Three new scalarane sesterterpenoids-hyrtiolide (1), 16-hydroxyscalarolide (2), and 12-deacetyl-Delta (17)-hyrtial (3), were isolated from Okinawan sponge Hyrtios erectus, along with scalarolide (4) and 12-deacetylhyrtial (5). The structures of new compounds 1-3 were determined by spectroscopic analysis and chemical conversions. Compounds 3 and 5 showed antiproliferative activity toward KB cells.

  DOI：

  10.1021/np000115g
• 作为产物：
  描述：

  乙酸酐 、 16-hydroxyscalarolide 以 吡啶 为溶剂， 反应 1.0h， 以97%的产率得到sesterstatin 7
  参考文献：
  名称：

  Three New Scalarane Sesterterpenoids from the Okinawan Sponge Hyrtios erectus

  摘要：

  Three new scalarane sesterterpenoids-hyrtiolide (1), 16-hydroxyscalarolide (2), and 12-deacetyl-Delta (17)-hyrtial (3), were isolated from Okinawan sponge Hyrtios erectus, along with scalarolide (4) and 12-deacetylhyrtial (5). The structures of new compounds 1-3 were determined by spectroscopic analysis and chemical conversions. Compounds 3 and 5 showed antiproliferative activity toward KB cells.

  DOI：

  10.1021/np000115g

文献信息

• Three New Scalarane Sesterterpenoids from the Okinawan Sponge <i>Hyrtios</i> <i>erectus</i>
  作者：Hiroaki Miyaoka、Satoshi Nishijima、Hidemichi Mitome、Yasuji Yamada

  DOI：10.1021/np000115g

  日期：2000.10.1

  Three new scalarane sesterterpenoids-hyrtiolide (1), 16-hydroxyscalarolide (2), and 12-deacetyl-Delta (17)-hyrtial (3), were isolated from Okinawan sponge Hyrtios erectus, along with scalarolide (4) and 12-deacetylhyrtial (5). The structures of new compounds 1-3 were determined by spectroscopic analysis and chemical conversions. Compounds 3 and 5 showed antiproliferative activity toward KB cells.

表征谱图