Name: Alemcinal
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212694698
Cas No:150785-53-8
常用名:Alemcinal
IUPAC:(2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-{[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy}-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
IUPAC:(2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-{[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy}-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
InChI key:IWTSXJNGTTXMFK-KTQUSEMZSA-N

分子式:C38H67NO10
分子量:697.951
氢键供体数 (HBD):2
氢键受体数 (HBA):10
LogP:4.56249
SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |c:42|
SMILES:CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |c:42|

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