Name: Carmichaenine B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315771
Cas No:2065228-60-4
常用名:Carmichaenine B
IUPAC:11-ethyl-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-2,4,8,16-tetrol
IUPAC:11-ethyl-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-2,4,8,16-tetrol
InChI key:IVNCQHJFFGCDLK-UHFFFAOYSA-N

分子式:C23H37NO7
分子量:439.549
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN1CC2(CO)CCC(O)C34C1C(C(OC)C23)C1(O)CC(OC)C2CC4(O)C1C2O |TLB:5:4:11:13.14,2:12:17.14:26.18.28,15:14:12:26.18.28,15:14:11:4.3.2,19:18:12:17.14,20:18:12:17.14,7:4:11:13.14,9:11:4.3.2:13.14,THB:27:26:12:17.14,26:11:4.3.2:13.14,4:17:12:26.18.28,1:2:11:13.14,14:17:3.2.12:7.8.9,18:13:11:4.3.2,29:28:12:17.14,30:29:26.25:18.21.20,25:26:12:17.14|
SMILES:CCN1CC2(CO)CCC(O)C34C1C(C(OC)C23)C1(O)CC(OC)C2CC4(O)C1C2O |TLB:5:4:11:13.14,2:12:17.14:26.18.28,15:14:12:26.18.28,15:14:11:4.3.2,19:18:12:17.14,20:18:12:17.14,7:4:11:13.14,9:11:4.3.2:13.14,THB:27:26:12:17.14,26:11:4.3.2:13.14,4:17:12:26.18.28,1:2:11:13.14,14:17:3.2.12:7.8.9,18:13:11:4.3.2,29:28:12:17.14,30:29:26.25:18.21.20,25:26:12:17.14|

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