Name: Fuziline
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212664823
Cas No:80665-72-1
常用名:Fuziline
别名:附子灵
IUPAC:(1S,2R,3R,4S,5S,6R,7S,8R,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,7,8,16-tetrol
IUPAC:(1S,2R,3R,4S,5S,6R,7S,8R,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,7,8,16-tetrol
InChI key:FPECZWKKKKZPPP-RAWRLCOFSA-N

分子式:C24H39NO7
分子量:453.576
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:-2.0080793
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@@](O)(C1[C@H](OC)[C@@]4([H])[C@]33[C@@H]1N(CC)C[C@]4(COC)CC[C@@H]3O)[C@@H](O)[C@@H]2OC |TLB:2:3:12.15:18,3:17:11.12:19.22.23,7:5:12.15:18,8:7:2.3:9.31.33,9:11:17:19.22.23,20:19:11.12:17,27:23:11.12:17,THB:10:9:12.15:18,13:12:3.5.9:18,13:12:17:19.22.23,19:18:3.5.9:12.15,23:15:3.5.9:18,24:23:11.12:17,29:17:11.12:19.22.23,30:29:15:18.19.22,31:9:12.15:18|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@@](O)(C1[C@H](OC)[C@@]4([H])[C@]33[C@@H]1N(CC)C[C@]4(COC)CC[C@@H]3O)[C@@H](O)[C@@H]2OC |TLB:2:3:12.15:18,3:17:11.12:19.22.23,7:5:12.15:18,8:7:2.3:9.31.33,9:11:17:19.22.23,20:19:11.12:17,27:23:11.12:17,THB:10:9:12.15:18,13:12:3.5.9:18,13:12:17:19.22.23,19:18:3.5.9:12.15,23:15:3.5.9:18,24:23:11.12:17,29:17:11.12:19.22.23,30:29:15:18.19.22,31:9:12.15:18|

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