16-hydroxyestrone

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

has implications in estrogen physiology and pathophysiology; RN given refers to parent cpd; structure in Negwer, 5th ed, #3670

[edit] General Properties

*Molecular Weight

286.37

*Molecular Formula

C₁₈H₂₂O₃

*IUPAC NAME

(8R,9S,13S,14S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

*Canonical Smiles

CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O

*Isomeric Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC(C2=O)O)CCC4=C3C=CC(=C4)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]Human Metabolome DataBase