6-Ketoestriol

From DrugPedia: A Wikipedia for Drug discovery

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

[edit] Description

Show 3-D Structure

6-Ketoestriol is a normal human metabolite that is in elevated concentration in the urine of patients with prolactinoma. (PMID 9812172)

[edit] General Properties

*Molecular Weight

302.36

*Molecular Formula

C₁₈H₂₂O₄

*IUPAC NAME

(16a,17b) 3,16,17-trihydroxy-Estra-1,3,5(10)-trien-6-one

*Canonical Smiles

CC12CCC3C(CC(=O)C4=C3C=CC(O)=C4)C1CC(O)C2O

*Isomeric Smiles

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

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Human Metabolome DataBase