Name: Taxayunnansin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316220
Cas No:153229-31-3
常用名:Taxayunnansin A
IUPAC:(1R,2S,5S,8R,9R,10S,11S,13R,16S)-2,9,11,16-tetrakis(acetyloxy)-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0^{3,7}.0^{13,16}]hexadec-6-en-8-yl benzoate
IUPAC:(1R,2S,5S,8R,9R,10S,11S,13R,16S)-2,9,11,16-tetrakis(acetyloxy)-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0^{3,7}.0^{13,16}]hexadec-6-en-8-yl benzoate
InChI key:IKDVXNASCSGIHM-BLBRJOMISA-N

分子式:C35H44O13
分子量:672.724
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(=O)c4ccccc4)C4=C(C)[C@@H](O)CC4([C@@H](OC(C)=O)[C@]3([H])[C@@]1(CO2)OC(C)=O)C(C)(C)O |c:26,@@:46|
SMILES:[H][C@@]12C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(=O)c4ccccc4)C4=C(C)[C@@H](O)CC4([C@@H](OC(C)=O)[C@]3([H])[C@@]1(CO2)OC(C)=O)C(C)(C)O |c:26,@@:46|

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