Name: Benzoylaconine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658851
Cas No:466-24-0
常用名:Benzoylaconine
别名:苯甲酰乌头原碱, Pikraconitin, Isaconitine, Benzoylaconitine
别名:苯甲酰乌头原碱, Pikraconitin, Isaconitine, Benzoylaconitine
IUPAC:(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-11-ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-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,9R,13R,14R,16S,17S,18R)-11-ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
InChI key:DHJXZSFKLJCHLH-CZLKEMKWSA-N

分子式:C32H45NO10
分子量:603.709
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:-0.9843458
SMILES:CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC |TLB:1:2:14:9.12,1:2:39.38.37:8,2:13:8.9:30.29.15,37:14:2.3.4:9.12,20:19:15.16:30.34.32,10:9:2.3.4:14,THB:39:4:14:9.12,12:13:39.38.37:8,30:12:2.3.4:14,15:14:2.3.4:9.12,5:4:14:9.12|
SMILES:CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC |TLB:1:2:14:9.12,1:2:39.38.37:8,2:13:8.9:30.29.15,37:14:2.3.4:9.12,20:19:15.16:30.34.32,10:9:2.3.4:14,THB:39:4:14:9.12,12:13:39.38.37:8,30:12:2.3.4:14,15:14:2.3.4:9.12,5:4:14:9.12|

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~