Name: Arjunetin
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212665279
Cas No:31297-79-7
常用名:Arjunetin
别名:阿江榄仁亭
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aR,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aR,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
InChI key:CUOZRGBQTOSWAY-PWEPJYDOSA-N

分子式:C36H58O10
分子量:650.85
氢键供体数 (HBD):7
氢键受体数 (HBA):9
LogP:2.0990045
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@H](O)C(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C |t:9|
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@H](O)C(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C |t:9|

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