Name: Hypaconine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314533
Cas No:63238-68-6
常用名:Hypaconine
别名:次乌头原碱
IUPAC:(2R,4S,5R,6S,7S,8R,13S,16S,17R,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,5,7,8-tetrol
IUPAC:(2R,4S,5R,6S,7S,8R,13S,16S,17R,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,5,7,8-tetrol
InChI key:BQTYHFZQSAKNQU-IVLFXVADSA-N

分子式:C24H39NO8
分子量:469.575
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(O)C2[C@@]3([H])C[C@]1(O)[C@@H](OC)[C@H](O)[C@]2(O)C1[C@H](OC)[C@@]2([H])C33C1N(C)C[C@]2(COC)CC[C@@H]3OC |TLB:25:24:22:16.17,17:20:26.24.23:33.31.32,14:16:22:27.26.24,4:22:27.26.24:16.17,6:4:23:20.17,1:3:23:20.17,2:1:4.6:14.9.12,THB:33:22:27.26.24:16.17,28:27:22:16.17,24:23:20.17:14.3.4,18:17:22:27.26.24,18:17:23:14.3.4,15:14:23:20.17,12:14:23:20.17,31:27:22:16.17|
SMILES:[H][C@]1(O)C2[C@@]3([H])C[C@]1(O)[C@@H](OC)[C@H](O)[C@]2(O)C1[C@H](OC)[C@@]2([H])C33C1N(C)C[C@]2(COC)CC[C@@H]3OC |TLB:25:24:22:16.17,17:20:26.24.23:33.31.32,14:16:22:27.26.24,4:22:27.26.24:16.17,6:4:23:20.17,1:3:23:20.17,2:1:4.6:14.9.12,THB:33:22:27.26.24:16.17,28:27:22:16.17,24:23:20.17:14.3.4,18:17:22:27.26.24,18:17:23:14.3.4,15:14:23:20.17,12:14:23:20.17,31:27:22:16.17|

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