2-hydroxyestradiol

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

catechol estrogen; RN given refers to (17 beta)-isomer

[edit] General Properties

*Molecular Weight

288.38

*Molecular Formula

C₁₈H₂₄O₃

*IUPAC NAME

(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol

*Canonical Smiles

CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O

*Isomeric Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]]2BW7,
• [3]KEGG Compound
• [4]Human Metabolome DataBase