Name: WF 11605
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317464
Cas No:127475-47-2
常用名:WF 11605
别名:WF-11605, WF11605
IUPAC:(1S,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-3-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
IUPAC:(1S,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-3-oxo-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
InChI key:FBAPXRMZLULGNA-TVJNVOSNSA-N

分子式:C38H60O11
分子量:692.887
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCC3=C(CC[C@@]4(C)[C@H](C(O)=O)[C@@](C)([C@H](C)C(C)C)C(=O)C[C@]34C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2(C)C |t:4|
SMILES:[H][C@@]12CCC3=C(CC[C@@]4(C)[C@H](C(O)=O)[C@@](C)([C@H](C)C(C)C)C(=O)C[C@]34C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2(C)C |t:4|

WF 11605 is an antagonist of leukotriene B4 produced by a fungus and is a specific antagonist of LTB4.

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