Name: 14-Benzoyl-8-O-methylaconine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317179
Cas No:93772-68-0
常用名:14-Benzoyl-8-O-methylaconine
IUPAC:(2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
IUPAC:(2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-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:VEMVATSAPLNYSX-ZUZAFRDRSA-N

分子式:C33H47NO10
分子量:617.736
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@](OC)([C@@H](O)[C@@H]3OC)[C@@]1([H])[C@H](OC)[C@@]3([H])C22[C@H](C[C@@H](O)[C@@]3(COC)CN(CC)[C@]12[H])OC |TLB:43:42:32:25.27,17:25:32:37.41.42,1:32:37.41.42:25.27,2:1:45:30.27,5:15:45:30.27,THB:33:32:37.41.42:25.27,42:45:30.27:17.15.1,27:30:41.42.45:33.35.34,28:27:32:37.41.42,28:27:45:17.15.1,18:17:45:30.27,6:5:1.2:17.22.20,20:17:45:30.27,35:37:32:25.27|
SMILES:[H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@](OC)([C@@H](O)[C@@H]3OC)[C@@]1([H])[C@H](OC)[C@@]3([H])C22[C@H](C[C@@H](O)[C@@]3(COC)CN(CC)[C@]12[H])OC |TLB:43:42:32:25.27,17:25:32:37.41.42,1:32:37.41.42:25.27,2:1:45:30.27,5:15:45:30.27,THB:33:32:37.41.42:25.27,42:45:30.27:17.15.1,27:30:41.42.45:33.35.34,28:27:32:37.41.42,28:27:45:17.15.1,18:17:45:30.27,6:5:1.2:17.22.20,20:17:45:30.27,35:37:32:25.27|

14-Benzoyl-8-O-methylaconine 是一种天然产物，可用于生命科学领域的相关研究。其产品编号为 TN6117，CAS号为 93772-68-0。

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