Name: Oleanolic acid-d3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220921949
Cas No:
常用名:Oleanolic acid-d3
别名:土当归酸-d3, 石竹素-d3, 丁香油素-d3
IUPAC:(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-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-icosahydro(10,11,11-2H3)picene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-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-icosahydro(10,11,11-2H3)picene-4a-carboxylic acid
InChI key:InChIKey=MIJYXULNPSFWEK-MNSGBSGKSA-N

分子式:C30H48O3
分子量:459.729
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC([2H])([2H])[C@]([2H])(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC([2H])([2H])[C@]([2H])(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Oleanolic acid-d3 是 Oleanolic Acid 的氘代物。Oleanolic Acid (Oleanic acid) 是一种具有抗癌活性的天然化合物。

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