16-Oxoandrostenediol

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

synthesized by hepatic microsomes from previable and anencephalic human fetuses; abundant steroid of umbilical cord blood and the physiologic precursor for 16-ketoestradiol-17 beta; major urinary estrogen of human pregnancy; structure

[edit] General Properties

*Molecular Weight

304.42

*Molecular Formula

C₁₉H₂₈O₃

*IUPAC NAME

(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

*Canonical Smiles

CC12CCC(CC1=CCC3C2CCC4(C3CC(=O)C4O)C)O

*Isomeric Smiles

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=O)[C@@H]4O)C)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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