Name: Carmichaenine D
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315720
Cas No:2065228-62-6
常用名:Carmichaenine D
IUPAC:(2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16,18-trihydroxy-13-(hydroxymethyl)-6-methoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
IUPAC:(2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16,18-trihydroxy-13-(hydroxymethyl)-6-methoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
InChI key:DGKLDJINLBMVKG-UKPVZSHPSA-N

分子式:C29H39NO7
分子量:513.631
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@H]3[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@](O)(C[C@@H]3OC)[C@@]1([H])[C@H](O)[C@@]3([H])C22[C@@H](O)CC[C@@]3(CO)CN(CC)[C@]12[H] |TLB:38:37:28:22.24,16:22:28:33.36.37,1:28:33.36.37:22.24,2:1:40:26.24,4:14:40:26.24,THB:29:28:33.36.37:22.24,34:33:28:22.24,37:40:26.24:16.14.1,24:26:36.37.40:29.32.31,25:24:28:33.36.37,25:24:40:16.14.1,17:16:40:26.24,18:16:40:26.24,32:33:28:22.24|
SMILES:[H][C@@]12C[C@H]3[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@](O)(C[C@@H]3OC)[C@@]1([H])[C@H](O)[C@@]3([H])C22[C@@H](O)CC[C@@]3(CO)CN(CC)[C@]12[H] |TLB:38:37:28:22.24,16:22:28:33.36.37,1:28:33.36.37:22.24,2:1:40:26.24,4:14:40:26.24,THB:29:28:33.36.37:22.24,34:33:28:22.24,37:40:26.24:16.14.1,24:26:36.37.40:29.32.31,25:24:28:33.36.37,25:24:40:16.14.1,17:16:40:26.24,18:16:40:26.24,32:33:28:22.24|

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