CAS: 189322-69-8; (1R,2R,3S,3Ar,8Bs)-3A-(3,4-Dimethoxyphenyl)-1,8B-Dihydroxy-6,8-Dimethoxy-N,N-Dimethyl-3-Phenyl-2,3,3A,8B-Tetrahydro-1H-Cyclopenta[b]Benzofuran-2-Carboxamide

• 英文名称(1R,2R,3S,3Ar,8Bs)-3A-(3,4-Dimethoxyphenyl)-1,8B-Dihydroxy-6,8-Dimethoxy-N,N-Dimethyl-3-Phenyl-2,3,3A,8B-Tetrahydro-1H-Cyclopenta[b]Benzofuran-2-Carboxamide
• 中文名称3'-甲氧基罗米仔兰酰胺
• IUPAC名称(1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxamide
• 其它别名Aglaroxin E; Aglaroxine E; 3'-Methoxyrocaglamide; -Methoxyrocaglamide; 1H-Cyclopenta[b]Benzofuran-2-Carboxamide, 3A-(3,4-Dimethoxyphenyl)-2,3,3A,8B-Tetrahydro-1,8B-Dihydroxy-6,8-Dimethoxy-N,N-Dimethyl-3-Phenyl-, (1R,2R,3S,3Ar,8Bs)-; C-3'-Methoxyrocaglamide/3'-Methoxyrocaglamide
• CAS编号189322-69-8
• MFCD编号:MFCD20260566
• 分子式:C30H33NO8分子量:535.59
• 产品CID: 959166
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: SKYJJPBOOAAPMV-KKPOPCGDSA-N
• InChI=1S/C30H33NO8/c1-31(2)28(33)24-25(17-10-8-7-9-11-17)30(18-12-13-20(36-4)21(14-18)37-5)29(34,27(24)32)26-22(38-6)15-19(35-3)16-23(26)39-30/h7-16,24-25,27,32,34H,1-6H3
• 计算化学: 氢键受体数8.0氢键供体数2.0可旋转键数7.0

物理性质

• 沸点686.3±55.0 °C(预测)
• 密度1.316±0.06 g/cm3(预测)
• pKa:11.61±0.70(预测)
• PSA:106.92
• LogP:3.0592
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
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• 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
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• ➥ REACH监管