Name: Ajmalimine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214312668
Cas No:59846-31-0
常用名:Ajmalimine
IUPAC:(1R,9R,10S,12R,13S,14S,16S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6-trien-18-yl 3,4,5-trimethoxybenzoate
IUPAC:(1R,9R,10S,12R,13S,14S,16S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6-trien-18-yl 3,4,5-trimethoxybenzoate
InChI key:JCRQPLRRHXVYJF-IIRKICMNSA-N

分子式:C30H36N2O6
分子量:520.626
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@H]1[C@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)c6cc(OC)c(OC)c(OC)c6)C3[C@H]1C[C@H]2[C@@H]4N(C)c1ccccc51 |TLB:4:3:6.25:27.28,10:9:7:5.28.29,THB:1:2:6.25:27.28,7:6:2.3:27.28,9:25:2.3:27.28,26:25:7:5.28.29,29:28:2.3:6.25|
SMILES:CC[C@@H]1[C@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)c6cc(OC)c(OC)c(OC)c6)C3[C@H]1C[C@H]2[C@@H]4N(C)c1ccccc51 |TLB:4:3:6.25:27.28,10:9:7:5.28.29,THB:1:2:6.25:27.28,7:6:2.3:27.28,9:25:2.3:27.28,26:25:7:5.28.29,29:28:2.3:6.25|

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