Name: Daphmacrine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214311479
Cas No:19775-48-5
常用名:Daphmacrine
IUPAC:1,5-dimethyl-8-{2-[(3S,7R)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]ethyl}-7-oxo-6-oxabicyclo[3.2.1]octan-2-yl acetate
IUPAC:1,5-dimethyl-8-{2-[(3S,7R)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]ethyl}-7-oxo-6-oxabicyclo[3.2.1]octan-2-yl acetate
InChI key:HHUKBFWZEBQMEU-MMJOYXAASA-N

分子式:C32H49NO4
分子量:511.747
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C1CCC2(C)C3CC[C@]45CCC[C@H]4C2(CCC2C4(C)CCC(OC(C)=O)C2(C)C(=O)O4)C1N5C3 |TLB:9:8:3.4.5:16,10:11:34:6.8.36,12:11:34:6.8.36,12:11:6.16.34:36,17:16:3.4.5:8.35.36,18:19:22.23.24:31.33,25:24:19:31.33,THB:1:3:16:8.35.36,3:34:11.15:6.8.36,5:6:11.15:34,9:8:11.15:34,11:35:3.4.5:16,14:15:34:6.8.36,15:16:3.4.5:8.35.36,15:11:6.16.34:36|
SMILES:CC(C)C1CCC2(C)C3CC[C@]45CCC[C@H]4C2(CCC2C4(C)CCC(OC(C)=O)C2(C)C(=O)O4)C1N5C3 |TLB:9:8:3.4.5:16,10:11:34:6.8.36,12:11:34:6.8.36,12:11:6.16.34:36,17:16:3.4.5:8.35.36,18:19:22.23.24:31.33,25:24:19:31.33,THB:1:3:16:8.35.36,3:34:11.15:6.8.36,5:6:11.15:34,9:8:11.15:34,11:35:3.4.5:16,14:15:34:6.8.36,15:16:3.4.5:8.35.36,15:11:6.16.34:36|

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