Name: Hypaconitine
Rating: 5 (10 reviews)

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HIT ID:HIT212664820
Cas No:6900-87-4
常用名:Hypaconitine
别名:次乌碱
IUPAC:(1S,2R,3R,4R,5R,6S,7S,8R,10R,13S,16S,17R,18R)-8-(acetyloxy)-5,7-dihydroxy-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}]nonadecan-4-yl benzoate
IUPAC:(1S,2R,3R,4R,5R,6S,7S,8R,10R,13S,16S,17R,18R)-8-(acetyloxy)-5,7-dihydroxy-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}]nonadecan-4-yl benzoate
InChI key:FIDOCHXHMJHKRW-SPFBWZSVSA-N

分子式:C33H45NO10
分子量:615.72
氢键供体数 (HBD):2
氢键受体数 (HBA):9
LogP:0.40357673
SMILES:[H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@@](OC(C)=O)(C1[C@H](OC)[C@@]4([H])[C@]22[C@@H]1N(C)C[C@]4(COC)CC[C@@H]2OC)[C@@H](O)[C@@H]3OC |TLB:1:28:22.23:30.32.33,2:1:23.26:29,5:15:23.26:29,6:5:1.2:17.42.44,17:22:28:30.32.33,31:30:22.23:28,37:33:22.23:28,THB:18:17:23.26:29,24:23:1.15.17:29,24:23:28:30.32.33,30:29:1.15.17:23.26,33:26:1.15.17:29,34:33:22.23:28,39:28:22.23:30.32.33,40:39:26:29.30.32,42:17:23.26:29|
SMILES:[H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@@](OC(C)=O)(C1[C@H](OC)[C@@]4([H])[C@]22[C@@H]1N(C)C[C@]4(COC)CC[C@@H]2OC)[C@@H](O)[C@@H]3OC |TLB:1:28:22.23:30.32.33,2:1:23.26:29,5:15:23.26:29,6:5:1.2:17.42.44,17:22:28:30.32.33,31:30:22.23:28,37:33:22.23:28,THB:18:17:23.26:29,24:23:1.15.17:29,24:23:28:30.32.33,30:29:1.15.17:23.26,33:26:1.15.17:29,34:33:22.23:28,39:28:22.23:30.32.33,40:39:26:29.30.32,42:17:23.26:29|

Hypaconitine (Standard) 是 Hypaconitine 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Hypaconitine 是从乌头属种分离的一种高毒性成分，可研究风湿病。

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