Name: Codaphniphylline
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317133
Cas No:14694-15-6
常用名:Codaphniphylline
IUPAC:1-[(1S,4S,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1R,2S,3R,7S,10R,13R,14S)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]propan-1-one
IUPAC:1-[(1S,4S,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1R,2S,3R,7S,10R,13R,14S)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]propan-1-one
InChI key:REKWVHVBDQXQLB-SLIDKJDPSA-N

分子式:C30H47NO3
分子量:469.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@](C)(O1)OC[C@]2(C)C(=O)CC[C@@]12[C@@]3([H])CCC[C@]33CC[C@@]4([H])CN3[C@]1([H])[C@@H](CC[C@@]24C)C(C)C |@@:27,TLB:14:15:32.31.30:27.24.26,21:27:15:32.31.30,16:15:32.31.30:27.24.26,20:21:28:24.33.26,22:21:28:24.33.26,THB:11:9:6:3.2,18:16:28:24.33.26,23:24:28:21.16,23:24:15:32.31.30,34:33:28:21.16,32:33:28:21.16,30:28:21.16:24.33.26,35:30:15:27.24.26|
SMILES:[H][C@]12CC[C@](C)(O1)OC[C@]2(C)C(=O)CC[C@@]12[C@@]3([H])CCC[C@]33CC[C@@]4([H])CN3[C@]1([H])[C@@H](CC[C@@]24C)C(C)C |@@:27,TLB:14:15:32.31.30:27.24.26,21:27:15:32.31.30,16:15:32.31.30:27.24.26,20:21:28:24.33.26,22:21:28:24.33.26,THB:11:9:6:3.2,18:16:28:24.33.26,23:24:28:21.16,23:24:15:32.31.30,34:33:28:21.16,32:33:28:21.16,30:28:21.16:24.33.26,35:30:15:27.24.26|

Codaphniphylline是一种天然产物，属于交让木科虎皮楠属，其产品编号为 TN6019，CAS号为 14694-15-6。Codaphniphylline可用作对照参考。

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