18-oxocortisol

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

biosynthesized by aldosterone-producing adrenal tissue; structure given in first source

[edit] General Properties

*Molecular Weight

376.44

*Molecular Formula

C₂₁H₂₈O₆

*IUPAC NAME

(8S,9S,10R,11S,13R,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde

*Canonical Smiles

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C=O)O

*Isomeric Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C=O)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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