Name: Estriol 3-glucuronide
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321697
Cas No:2479-91-6
常用名:Estriol 3-glucuronide
IUPAC:(2S,3S,4S,5R,6S)-6-{[(1R,2R,3aS,3bR,9bS,11aS)-1,2-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-6-{[(1R,2R,3aS,3bR,9bS,11aS)-1,2-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:UZKIAJMSMKLBQE-JRSYHJKYSA-N

分子式:C24H32O9
分子量:464.511
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)cc3CC[C@@]21[H]
SMILES:[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)cc3CC[C@@]21[H]

Estriol-3-glucuronide, a natural compound found in urine, is also present in amniotic fluid during normal pregnancy [1][2].

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