CAS: 1422506-49-7; (6S,8R,9S,10S)-8-((E)-1-Hydroxybut-2-En-2-yl)-9-(Hydroxymethyl)-12-Methyl-6,7,8,9,10,11-Hexahydro-5H-6,10-Epiminocycloocta[b]Indol-2-Ol

• 英文名称(6S,8R,9S,10S)-8-((E)-1-Hydroxybut-2-En-2-yl)-9-(Hydroxymethyl)-12-Methyl-6,7,8,9,10,11-Hexahydro-5H-6,10-Epiminocycloocta[b]Indol-2-Ol
• 中文名称(6S,8R,9S,10S)-8-((E)-1-羟基丁-2-烯-2-基)-9-(羟甲基)-12-甲基-6,7,8,9,10,11-六氢-5H-6,10-表亚氨基环辛A[B]吲哚-2-醇
• IUPAC名称(6S,8R,9S,10S)-8-((E)-1-hydroxybut-2-en-2-yl)-9-(hydroxymethyl)-12-methyl-6,7,8,9,10,11-hexahydro-5H-6,10-epiminocycloocta[b]indol-2-ol
• 其它别名(Betae,6S,8R,9S,10S)-Beta-Ethylidene-6,7,8,9,10,11-Hexahydro-2-Hydroxy-9-(Hydroxymethyl)-12-Methyl-6,10-Imino-5H-Cyclooct[b]Indole-8-Ethanol; Rauvotetraphylline A; 6,10-Imino-5H-Cyclooct[b]Indole-8-Ethanol, β-Ethylidene-6,7,8,9,10,11-Hexahydro-2-Hydroxy-9-(Hydroxymethyl)-12-Methyl-, (βe,6S,8R,9S,10S)-
• CAS编号1422506-49-7
• MFCD编号:MFCD28100693
• 分子式:C20H26N2O3分子量:342.44
• 产品CID: 647416

• 相似结构搜索
• InChIKey: MVGDPTFDPKCFEM-BKRWUIHZSA-N
• InChI=1S/C20H26N2O3/c1-3-11(9-23)13-7-19-20-15(8-18(22(19)2)16(13)10-24)14-6-12(25)4-5-17(14)21-20/h3-6,13,16,18-19,21,23-25H,7-10H2,1-2H3/b11-3-/t13-,16-,18-,19-/m0/s1
• 计算化学: 氢键受体数4.0氢键供体数4.0可旋转键数3.0

物理性质

• 沸点563.7±50.0 °C(预测)
• 密度1.272±0.06 g/cm3(预测)
• pKa:10.22±0.60(预测)
• PSA:79.72
• LogP:2.276

MSDS等安全信息

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905121000-正丙醇
  2905141000-异丁醇
• 💡 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