Name: Talatisamine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT100321148
Cas No:20501-56-8
常用名:Talatisamine
别名:塔拉乌头胺, 塔拉萨敏
IUPAC:(1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,8-diol
IUPAC:(1S,2R,3R,4S,5S,6S,8S,9S,13S,16S,17R)-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,8-diol
InChI key:BDCURAWBZJMFIK-FLDLCTCNSA-N

分子式:C24H39NO5
分子量:421.578
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:1.600000000000000e-002
SMILES:CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14 |@:2,TLB:5:4:13:26.27,10:13:4.2.3:26.27,8:4:13:26.27,THB:4:28:14.19.20:29,14:13:4.2.3:26.27,24:23:17:14.15,20:26:13:4.2.3,21:20:17:14.15,1:2:13:26.27,27:28:10.9.8:29.2.3|
SMILES:CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14 |@:2,TLB:5:4:13:26.27,10:13:4.2.3:26.27,8:4:13:26.27,THB:4:28:14.19.20:29,14:13:4.2.3:26.27,24:23:17:14.15,20:26:13:4.2.3,21:20:17:14.15,1:2:13:26.27,27:28:10.9.8:29.2.3|

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