16-Hydroxydehydroepiandrosterone sulfate

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

RN given refers to cpd with unspecified sulfate ester linkage locant and (3 beta,16 beta)-isomer

[edit] General Properties

*Molecular Weight

384.49

*Molecular Formula

C₁₉H₂₈O₆S

*IUPAC NAME

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

*Canonical Smiles

CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)OS(=O)(=O)O)C)O

*Isomeric Smiles

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)OS(=O)(=O)O)C)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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