Desulfo-yessotoxin | 130996-07-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 雪卡毒素
• 英文名称: Desulfo-yessotoxin
• 英文别名: desulfated yessotoxin；dsYTX；dsYTS；(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-13-(2-hydroxyethyl)-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontane-14,34-diol
• CAS: 130996-07-5
• 化学式: C₅₅H₈₂O₁₅
• 分子量: 983.247
• InChiKey: CNNCDXZYIDBDPG-VOUFGAANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  70
• 可旋转键数：
  7
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  182
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  、 Desulfo-yessotoxin 在 camphor-10-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以59%的产率得到
  参考文献：
  名称：

  Surface plasmon resonance-based detection of ladder-shaped polyethers by inhibition detection method

  摘要：

  Ladder-shaped polyether (LSP) compounds represented by brevetoxins and ciguatoxins were largely discovered in association with seafood poisoning. Thus, a quick quantification method for LSPs is potentially important. We examined a surface plasmon resonance method using desulfated-yessotoxin (dsYTX) immobilized on a sensor chip and phosphodiesterase PDEII in a inhibition detection mode. Yessotoxin, brevetoxin B and synthetic LSP derivatives showed clear inhibition against PDEII binding to the immobilized dsYTX, by which their half inhibitory concentrations were successfully estimated. This inhibition method appeared to be superior in specificity to direct binding assays where binding proteins to LSP was immobilized on a sensor chip. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.103
• 作为产物：
  描述：

  yessotoxin 以 1,4-二氧六环 、 吡啶 为溶剂， 反应 3.0h， 生成 Desulfo-yessotoxin
  参考文献：
  名称：

  使用手性各向异性试剂甲氧基-（2-萘基）乙酸通过NMR光谱法测定腹泻贝类中毒的聚醚化合物Yessotoxin的绝对构型

  摘要：

  通过手性各向异性试剂甲氧基-（2-萘基）乙酸（2NMA）的NMR光谱测定yessotoxin（1）（一种引起贝类中毒的强泻性毒素）的绝对构型，将其应用于甲壳素的单乙酸盐双脱硫酸耶索毒素（3）。

  DOI：

  10.1016/0040-4039(96)01580-8