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Chemical structure of Sodium 17beta-estradiol 17-glucosiduronate

GC10964

Sodium 17beta-estradiol 17-glucosiduronate

Also listed as Estradiol 17-(β-D-Glucuronide) (sodium salt)

Estradiol 17-(β-D-Glucuronide) is a metabolic product of estradiol, the main female sex hormone

ChemicalCAS15087-02-2MW470.5FormulaC24H31O8 • Na [XH2O]
CAS number
15087-02-2
Molecular weight
470.5
Formula
C24H31O8 • Na [XH2O]
Solubility
≤20mg/ml in DMSO;10mg/ml in dimethyl formamide
InChIKey
UQSHTUQZFYMYFO-VGYGJRAWSA-M
Catalogue number
GC10964
Brand
GLPBIO
Computed properties PubChem CID 86290017 · TPSA 140 Ų · H-bond donors 4 · H-bond acceptors 8
TPSA
140 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
33

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)O.[Na+]

Computed descriptors from PubChem (CID 86290017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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