3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate | 65041-92-1

• 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: 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,8,15-triyl triacetate
• 英文别名: [(1S,2R,4S,7R,9R,10R,11S)-4,11-diacetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
• CAS: 65041-92-1
• 化学式: C₂₁H₂₈O₉
• 分子量: 424.4
• InChiKey: BIQPSTSCCIEMEI-NCHBFNGESA-N

物化性质

• 沸点：
  451.88°C (rough estimate)
• 密度：
  1.2458 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  9

制备方法与用途

类别：腐蚀物品

• 毒性分级：剧毒

• 急性毒性：

  • 口服-豚鼠 LD50: 0.5 毫克/公斤
  • 口服-鸡: 0.789 毫克/公斤

• 刺激数据：

  • 皮肤-兔子：0.160 微克 中度刺激
  • 皮肤-大鼠：0.08 微克 强烈刺激

• 可燃性危险特性：可燃；加热分解时会释放刺激烟雾

• 储运特性：应存放于通风、低温和干燥的库房中

• 灭火剂：

  • 干粉
  • 泡沫
  • 砂土
  • 二氧化碳
  • 雾状水

文献信息

• Trichothecene-transforming alcohol dehydrogenase, method for transforming trichothecenes and trichothecene-transforming additive
  申请人：Erber Aktiengesellschaft

  公开号：US11001812B2

  公开（公告）日：2021-05-11

  An alcohol dehydrogenase of sequence ID numbers 2, 3 or 4 containing metal ions and a quinone cofactor, or in addition, a functional variant exhibiting a sequence identity of at least 80%, preferably at least 86%, especially preferred at least 89% and at least one redox cofactor for the transformation of at least one trichothecene exhibiting a hydroxyl group on the C-3 atom, as well as a method for the enzymatic transformation of trichothecenes and a trichothecene-transforming additive.

  一种序列 ID 号为 2、3 或 4 的醇脱氢酶，含有金属离子和醌辅助因子，或此外还含有一种功能变体，其序列同一性至少为 80%，优选至少为 86%，特别优选至少为 89%，并含有至少一种氧化还原辅助因子，用于转化至少一种 C-3 原子上带有羟基的单端孢霉烯，以及一种单端孢霉烯酶促转化方法和一种单端孢霉烯转化添加剂。
• TRICHOTHECENE-TRANSFORMING ALCOHOL DEHYDROGENASE, METHOD FOR TRANSFORMING TRICHOTHECENES AND TRICHOTHECENE-TRANSFORMING ADDITIVE
  申请人：Erber Aktiengesellschaft

  公开号：US20180080011A1

  公开（公告）日：2018-03-22

  A alcohol dehydrogenase of sequence ID no. 1 containing metal ions and a quinone cofactor, or in addition, a functional variant exhibiting a sequence identity of at least 80%, preferably at least 86%, especially preferred at least 89% and at least one redox cofactor for the transformation of at least one trichothecene exhibiting a hydroxyl group on the C-3 atom, as well as a method for the enzymatic transformation of trichothecenes and a trichothecene-transforming additive.
• [EN] METHODS AND COMPOSITIONS FOR DEGRADING DEOXYNIVALENOL<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR LA DÉGRADATION DE DÉSOXYNIVALÉNOL
  申请人：[en]ERBER AKTIENGESELLSCHAFT

  公开号：WO2022084501A1

  公开（公告）日：2022-04-28

  The present invention relates to means and methods for degrading DON and/or DON derivative/s comprising a polypeptide comprising an amino acid sequence having at least 70% identity to the amino acid sequence set forth in SEQ ID NO: 1.