CAS: 6836-11-9; 14-Ethyl-8-Hydroxy-5,7,9-Trimethoxy-12-Methyldodecahydro-9H-8A,12,14B-(Epiethane[1,1,2]Triyl)-6,8-Methano[1,3]Dioxolo[4',5':1,8A]Naphtho[2,3-B]Azocin-15-Yl Acetate

• 英文名称14-Ethyl-8-Hydroxy-5,7,9-Trimethoxy-12-Methyldodecahydro-9H-8A,12,14B-(Epiethane[1,1,2]Triyl)-6,8-Methano[1,3]Dioxolo[4',5':1,8A]Naphtho[2,3-B]Azocin-15-Yl Acetate
• 中文名称德尔塔林
• IUPAC名称14-ethyl-8-hydroxy-5,7,9-trimethoxy-12-methyldodecahydro-9H-8a,12,14b-(epiethane[1,1,2]triyl)-6,8-methano[1,3]dioxolo[4',5':1,8a]naphtho[2,3-b]azocin-15-yl acetate
• 其它别名1α,14α,16β-Trimethoxy-4-Methyl-7β,8-(Methylenedioxy)-20-Ethylaconitane-6β,10-Diol 6-Acetate; 20-Ethyl-1α,14α,16β-Trimethoxy-4-Methyl-7,8-[methylenebis(Oxy)]Aconitane-6β,10-Diol 6-Acetate; Deltaline【alkaloid】; (1Alpha,6Alpha,14Alpha,16Beta)-20-Ethyl-1,14,16-Trimethoxy-4-Methyl-7,8-[methylenebis(Oxy)]Aconitane-6,10-Diol 6-Acetate; Delphelatine; Deltamine 6-Acetate; Eldelin; Aconitane-6,10-Diol, 20-Ethyl-1,14,16-Trimethoxy-4-Methyl-7,8-[methylenebis(Oxy)]-, 6-Acetate, (1α,6β,14α,16β)-
• CAS编号6836-11-9
• MFCD编号:MFCD00274547
• 分子式:C27H41NO8分子量:507.62
• 产品CID: 2331544
• 产品分类生物化工 → 提取物

• 相似结构搜索
• InChIKey: DTTPWCNKTMQMTE-TYNNPWLESA-N
• InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3
• 计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数6.0

物理性质

• 熔点182-184 °C
• 沸点597.6±50.0 °C at 760 mmHg
• 闪点315.2±30.1 °C
• 密度1.3±0.1 g/cm3
• pKa:13.10±0.70(预测)
• PSA:95.92
• LogP:2.54
• 折射率1.587
• 蒸汽压0.0±3.8 mmHg at 25°C
• 溶解性DMF:30.0(Max Conc. mg/mL);59.1(Max Conc. Mm) DMF:Pbs (Ph 7.2) (1:7):0.12(Max Conc. mg/mL);0.24(Max Conc. Mm) DMSO:20.0(Max Conc. mg/mL);39.4(Max Conc. Mm) Ethanol:10.0(Max Conc. mg/mL);19.7(Max Conc. Mm)
• 外观形态白色至类白色固体
• 储存条件2-8C
• 产品应用该化合物用作内容确定,识别和药理研究.

MSDS等安全信息

合成工艺路线路线简述

• 合成目标产物 Deltaline 主要起始原料 Diethoxymethane And Ethanamine, N-[(3,5-Dichlorophenyl)Methylene]-2,2-Diethoxy-
• (文献来源)合成步骤主要原料 Diethoxymethane 和 Ethanamine, N-[(3,5-Dichlorophenyl)Methylene]-2,2-Diethoxy-

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管