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Chemical structure of β-Estradiol-6-one 6-(O-carboxymethyloxime)

GC66512

β-Estradiol-6-one 6-(O-carboxymethyloxime)

Also known as 2-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]oxyacetic acid

β-Estradiol-6-one 6-(O-carboxymethyloxime) is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS35048-47-6MW359.42FormulaC20H25NO5
CAS number
35048-47-6
Molecular weight
359.42
Formula
C20H25NO5
InChIKey
AWARIMYXKAIIGO-XQRBHQRSSA-N
Catalogue number
GC66512
Brand
GLPBIO
Computed properties PubChem CID 5288151 · XLogP 3 · TPSA 99.4 Ų · H-bond donors 3
XLogP
3
TPSA
99.4 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
26

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=NOCC(=O)O)C4=C3C=CC(=C4)O

Computed descriptors from PubChem (CID 5288151), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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