Name: β-Estradiol-6-one 6-(O-carboxymethyloxime)
Rating: 5 (10 reviews)

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HIT ID:HIT214314871
Cas No:35048-47-6
常用名:β-Estradiol-6-one 6-(O-carboxymethyloxime)
常用名:β-Estradiol-6-one 6-(O-carboxymethyloxime)
IUPAC:2-({[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-ylidene]amino}oxy)acetic acid
IUPAC:2-({[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-ylidene]amino}oxy)acetic acid
InChI key:AWARIMYXKAIIGO-XQRBHQRSSA-N

分子式:C20H25NO5
分子量:359.422
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C(C[C@@]21[H])=NOCC(O)=O |w:23.27|
SMILES:[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C(C[C@@]21[H])=NOCC(O)=O |w:23.27|

β-Estradiol-6-one 6-(O-carboxymethyloxime) is an alkyl chain-based PROTAC linker utilized for PROTAC synthesis[1].

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