Name: Carmichaenine A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315770
Cas No:2065228-59-1
常用名:Carmichaenine A
IUPAC:(2R,4R,5S,6S,8R,13S,16S,17R,18R)-11-ethyl-4,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-8-yl benzoate
IUPAC:(2R,4R,5S,6S,8R,13S,16S,17R,18R)-11-ethyl-4,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-8-yl benzoate
InChI key:BKAIYZAGPZZPPF-SGRGUITJSA-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@@]1(O)[C@@H]2C[C@]3([H])C1[C@@](C[C@@H]2OC)(OC(=O)c1ccccc1)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3O |TLB:31:30:28:22.23,23:26:33.30.29:40.38.39,8:22:28:34.33.30,5:28:34.33.30:22.23,4:5:29:26.23,1:7:29:26.23,THB:40:28:34.33.30:22.23,35:34:28:22.23,30:29:26.23:8.7.5,24:23:28:34.33.30,24:23:29:8.7.5,13:8:29:26.23,9:8:29:26.23,38:34:28:22.23|
SMILES:[H][C@@]1(O)[C@@H]2C[C@]3([H])C1[C@@](C[C@@H]2OC)(OC(=O)c1ccccc1)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3O |TLB:31:30:28:22.23,23:26:33.30.29:40.38.39,8:22:28:34.33.30,5:28:34.33.30:22.23,4:5:29:26.23,1:7:29:26.23,THB:40:28:34.33.30:22.23,35:34:28:22.23,30:29:26.23:8.7.5,24:23:28:34.33.30,24:23:29:8.7.5,13:8:29:26.23,9:8:29:26.23,38:34:28:22.23|

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