Name: Triacetyl-β-cyclodextrin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219586483
Cas No:23739-88-0
常用名:Triacetyl-β-cyclodextrin
别名:三乙酰基-β-环糊精
IUPAC:[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(acetyloxy)-10,15,20,25,30,35-hexakis[(acetyloxy)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontan-5-yl]methyl acetate
IUPAC:[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(acetyloxy)-10,15,20,25,30,35-hexakis[(acetyloxy)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontan-5-yl]methyl acetate
InChI key:NOPKOJDDVCBPTP-XEHVGNMASA-N

分子式:C84H112O56
分子量:2017.764
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@H](COC(C)=O)[C@@]([H])(O[C@@]3([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]4([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]5([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]6([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]7([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]8([H])O[C@H](COC(C)=O)[C@@]([H])(O1)[C@H](OC(C)=O)[C@H]8OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O
SMILES:[H][C@@]12O[C@H](COC(C)=O)[C@@]([H])(O[C@@]3([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]4([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]5([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]6([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]7([H])O[C@H](COC(C)=O)[C@@]([H])(O[C@@]8([H])O[C@H](COC(C)=O)[C@@]([H])(O1)[C@H](OC(C)=O)[C@H]8OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O

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