Name: 14-Benzoylneoline
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316994
Cas No:99633-05-3
常用名:14-Benzoylneoline
IUPAC:(2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-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-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
InChI key:GDNPLILPTBDDEP-HOTLIYOISA-N

分子式:C31H43NO7
分子量:541.685
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC(=O)c1ccccc1)[C@](O)(C[C@@H]2OC)[C@@]1([H])[C@H](OC)[C@@]2([H])C33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@]13[H] |TLB:41:40:30:23.25,17:23:30:35.39.40,3:30:35.39.40:23.25,2:3:43:28.25,7:5:43:28.25,THB:31:30:35.39.40:23.25,36:35:30:23.25,40:43:28.25:17.5.3,25:28:39.40.43:31.34.33,26:25:30:35.39.40,26:25:43:17.5.3,18:17:43:28.25,8:7:3.2:17.20.19,19:17:43:28.25,34:35:30:23.25|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC(=O)c1ccccc1)[C@](O)(C[C@@H]2OC)[C@@]1([H])[C@H](OC)[C@@]2([H])C33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@]13[H] |TLB:41:40:30:23.25,17:23:30:35.39.40,3:30:35.39.40:23.25,2:3:43:28.25,7:5:43:28.25,THB:31:30:35.39.40:23.25,36:35:30:23.25,40:43:28.25:17.5.3,25:28:39.40.43:31.34.33,26:25:30:35.39.40,26:25:43:17.5.3,18:17:43:28.25,8:7:3.2:17.20.19,19:17:43:28.25,34:35:30:23.25|

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