Name: beta-Estradiol 17-hemisuccinate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213890951
Cas No:7698-93-3
常用名:beta-Estradiol 17-hemisuccinate
别名:beta-雌二醇 17-半琥珀酸酯
IUPAC:4-{[(1S,3aS,3bR,9bS,11aR)-11a-{[(1S,3aS,3bR,9bS,11aS)-1-[(3-carboxypropanoyl)oxy]-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl]methyl}-7-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-4-oxobutanoic acid
IUPAC:4-{[(1S,3aS,3bR,9bS,11aR)-11a-{[(1S,3aS,3bR,9bS,11aS)-1-[(3-carboxypropanoyl)oxy]-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl]methyl}-7-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-4-oxobutanoic acid
InChI key:INMZLDOMARMHQQ-KBIGVYLMSA-N

分子式:C44H54O10
分子量:742.906
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@H](OC(=O)CCC(O)=O)[C@@]1(CC1C[C@]3([H])c4ccc(O)cc4CC[C@@]3([H])[C@]3([H])CC[C@H](OC(=O)CCC(O)=O)[C@@]13C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
SMILES:[H][C@@]12CC[C@H](OC(=O)CCC(O)=O)[C@@]1(CC1C[C@]3([H])c4ccc(O)cc4CC[C@@]3([H])[C@]3([H])CC[C@H](OC(=O)CCC(O)=O)[C@@]13C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

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