Name: Lauroylglycyrrhetinic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212716815
Cas No:5356-59-2
常用名:Lauroylglycyrrhetinic acid
别名:BX-24, BX24, BX 24
IUPAC:(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(dodecanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
IUPAC:(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(dodecanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
InChI key:HZEWCBIUKQQPIY-OUNHHPCWSA-N

分子式:C42H68O5
分子量:653.001
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:11.174108
SMILES:[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:15|
SMILES:[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:15|

Lauroylglycyrrhetinic acid, an analog of carbenoxolone, can be used in the treatment of stomach ulcer.

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