CAS: 954379-68-1; 13-Ethyl-3-Methyl-6-(4-Methyl-5-Oxotetrahydrofuran-2-yl)Decahydro-4H-7,12-Methanofuro[3,2-E][1]Azacyclododecine-2,4,14(3H)-Trione

• 英文名称13-Ethyl-3-Methyl-6-(4-Methyl-5-Oxotetrahydrofuran-2-yl)Decahydro-4H-7,12-Methanofuro[3,2-E][1]Azacyclododecine-2,4,14(3H)-Trione
• 中文名称新对叶百部酮碱
• IUPAC名称13-ethyl-3-methyl-6-(4-methyl-5-oxotetrahydrofuran-2-yl)decahydro-4H-7,12-methanofuro[3,2-e][1]azacyclododecine-2,4,14(3H)-trione
• 其它别名Neotuberostemone; Neotuberostemonone; 3H-7,12-Methanofuro[3,2-E]Azacyclododecine-2,4,14-Trione, 13-Ethyldecahydro-3-Methyl-6-[(2S,4S)-Tetrahydro-4-Methyl-5-Oxo-2-Furanyl]-, (3R,3Ar,6S,7R,12S,13R,13Ar)-
• CAS编号954379-68-1
• MFCD编号:MFCD20260825
• 分子式:C22H31NO6分子量:405.49
• 产品CID: 2007944

• 相似结构搜索
• InChIKey: CHQGOWAOLJKTQX-UHFFFAOYSA-N
• InChI=1S/C22H31NO6/c1-4-13-14-7-5-6-8-23(20(14)25)15(17-9-11(2)21(26)28-17)10-16(24)18-12(3)22(27)29-19(13)18/h11-15,17-19H,4-10H2,1-3H3
• 计算化学: 氢键受体数6.0氢键供体数0.0可旋转键数2.0

物理性质

• 沸点626.6±55.0 °C(预测)
• 密度1.24±0.1 g/cm3(预测)
• pKa:-1.62±0.70(预测)
• PSA:89.98
• LogP:2.0499

MSDS等安全信息

合成工艺路线路线简述

海关参考信息

• 2905122000-异丙醇
  2909110000-乙醚
  2912110000-甲醛
  2912120000-乙醛
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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
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• ➥ REACH监管