Name: Daphnilongeranin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885119
Cas No:874201-05-5
常用名:Daphnilongeranin A
IUPAC:methyl (1S,2S,3R,5R,6S,10S)-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.1^{1,5}.0^{2,10}.0^{3,8}.0^{17,20}]henicosa-13(20),17-diene-18-carboxylate
IUPAC:methyl (1S,2S,3R,5R,6S,10S)-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.1^{1,5}.0^{2,10}.0^{3,8}.0^{17,20}]henicosa-13(20),17-diene-18-carboxylate
InChI key:TVYCEKHYHLUROK-DCLOCNOKSA-N

分子式:C23H29NO4
分子量:383.488
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@H]4N(C[C@@H](CC3)[C@@]24C)C[C@H]1C |c:4,9,TLB:12:11:16:18.25.26,27:26:16:11.13.23,THB:10:11:16:18.25.26,19:18:16:11.13.23,20:23:16:18.25.26,24:23:16:18.25.26|
SMILES:COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@H]4N(C[C@@H](CC3)[C@@]24C)C[C@H]1C |c:4,9,TLB:12:11:16:18.25.26,27:26:16:11.13.23,THB:10:11:16:18.25.26,19:18:16:11.13.23,20:23:16:18.25.26,24:23:16:18.25.26|

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