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Chemical structure of Estradiol 3-sulfate 17β-Glucuronide (potassium salt)

GC43629

Estradiol 3-sulfate 17β-Glucuronide (potassium salt)

Also known as dipotassium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-13-methyl-3-sulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylate

Estradiol 3-sulfate is a sulfated form of the steroid hormone 17β-estradiol, and is common in fetal plasma and in the breast tissues of patients with mammary carcinoma

ChemicalCAS10392-35-5MW604.8FormulaC24H30O11S•2K
CAS number
10392-35-5
Molecular weight
604.8
Formula
C24H30O11S•2K
Solubility
DMF： 0·5 mg/ml,DMSO： 5 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
NUSNDWFRAHTWCY-LXMSUNLNSA-L
Catalogue number
GC43629
Brand
GLPBIO
Computed properties PubChem CID 71316480 · TPSA 194 Ų · H-bond donors 3 · H-bond acceptors 11
TPSA
194 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
3
Heavy atoms
38

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)[O-].[K+].[K+]

Computed descriptors from PubChem (CID 71316480), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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