bastadin-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: bastadin-5
• 英文别名: 5,16,21,32,36-Pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione；5,16,21,32,36-pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione
• 化学式: C₃₄H₂₇Br₅N₄O₈
• 分子量: 1019.13
• InChiKey: UXXAEQAYQWEARL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  51
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  182
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  bastadin 4 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以40%的产率得到bastadin-5
  参考文献：
  名称：

  Isolation of bastadin-6-O-sulfate and expedient purifications of bastadins-4, -5 and -6 from extracts of Ianthella basta

  摘要：

  Bastadin-6-34-O-sulfate ester (8) was isolated from methanol extracts of lanthella basta. The structure of 8 was characterized by analysis of MS and NMR data, and conversion through acid hydrolysis, to the parent compound, bastadin-6, which was identical by HPLC, MS and NMR with an authentic sample. An improved procedure for procurement of pure samples of bastadins-4 (4), -5 (5) and -6 (6) is described.

  DOI：

  10.1016/j.fitote.2017.12.003

文献信息

• Isolation of bastadin-6-O-sulfate and expedient purifications of bastadins-4, -5 and -6 from extracts of Ianthella basta
  作者：Christopher J. Gartshore、Mariam N. Salib、August A. Renshaw、Tadeusz F. Molinski

  DOI：10.1016/j.fitote.2017.12.003

  日期：2018.4

  Bastadin-6-34-O-sulfate ester (8) was isolated from methanol extracts of lanthella basta. The structure of 8 was characterized by analysis of MS and NMR data, and conversion through acid hydrolysis, to the parent compound, bastadin-6, which was identical by HPLC, MS and NMR with an authentic sample. An improved procedure for procurement of pure samples of bastadins-4 (4), -5 (5) and -6 (6) is described.