16,17-Epiestriol

From DrugPedia: A Wikipedia for Drug discovery

[edit] Description

Show 3-D Structure

A hydroxylated metabolite of estradiol or estrone that has a hydroxyl group at C3-beta, 16-, and 17- position. Estriol is a major urinary estrogen. During pregnancy, large amount of estriol is produced by the placenta. Isomers with inversion of the hydroxyl group or groups are called epiestriol (16-beta, 17-alpha).

[edit] General Properties

*Molecular Weight

288.38

*Molecular Formula

C₁₈H₂₄O₃

*IUPAC NAME

(16b,17a)-Estra-1,3,5(10)-triene-3,16,17-triol

*Canonical Smiles

CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CC(O)C2O

*Isomeric Smiles

C[C@]12CC[C@H]3[C@@H](CCC4=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