CAS: 14694-15-6; 1-(1,4-Dimethyl-2,8-Dioxabicyclo[3.2.1]Octan-4-yl)-3-(9-Isopropyl-6A-Methyldodecahydro-10Ah-3A,10,6-(Epinitrilomethano)Benzo[e]Azulen-10A-yl)Propan-1-One

• 英文名称1-(1,4-Dimethyl-2,8-Dioxabicyclo[3.2.1]Octan-4-yl)-3-(9-Isopropyl-6A-Methyldodecahydro-10Ah-3A,10,6-(Epinitrilomethano)Benzo[e]Azulen-10A-yl)Propan-1-One
• 中文名称交让木碱
• IUPAC名称1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl)-3-(9-isopropyl-6a-methyldodecahydro-10aH-3a,10,6-(epinitrilomethano)benzo[e]azulen-10a-yl)propan-1-one
• 其它别名23-[(1R,4R,5S)-1,4-Dimethyl-2,8-Dioxabicyclo[3.2.1]Oct-4-Yl]Daphnan-23-One; Codaphniphylline; 1-Propanone,1-[(1R,4R,5S)-1,4-Dimethyl-2,8-Dioxabicyclo[3.2.1]Oct-4-Yl]-3-[(3Ar,4S,4As,5R,8S,8Ar,8Bs,10S)-Octahydro-8-Methyl-5-(1-Methylethyl)-4,8,3A-[1,2,4]Butanetriylcyclopent[b]Indol-8A(4Ah)-Yl]-
• CAS编号14694-15-6
• MFCD编号:MFCD20274580
• 分子式:C30H47NO3分子量:469.71
• 产品CID: 701478
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: REKWVHVBDQXQLB-UHFFFAOYSA-N
• InChI=1S/C30H47NO3/c1-19(2)21-9-13-27(4)20-8-15-29-12-6-7-22(29)30(27,25(21)31(29)17-20)16-10-23(32)26(3)18-33-28(5)14-11-24(26)34-28/h19-22,24-25H,6-18H2,1-5H3
• 计算化学: 氢键受体数4.0氢键供体数*可旋转键数5.0

物理性质

• 熔点162-164 °C
• 沸点552.6±40.0 °C at 760 mmHg
• 闪点288.0±27.3 °C
• 密度1.1±0.1 g/cm3
• PSA:38.77
• LogP:6.14
• 折射率1.569
• 蒸汽压0.0±1.5 mmHg at 25°C
• 溶解性溶于氯仿,二氯甲烷,乙酸乙酯,DMSO,丙酮等.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险品标志Xi

合成工艺路线路线简述

海关参考信息

• 2905122000-异丙醇
  2905399001-1,3-丙二醇
  2905399002-1,4-丁二醇
  2909110000-乙醚
• 💡 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