3beta,15beta,17alpha-Trihydroxy-5-pregnen-20-one

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

found in urine of newborn infants

[edit] General Properties

*Molecular Weight

348.48

*Molecular Formula

C₂₁H₃₂O₄

*IUPAC NAME

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

*Canonical Smiles

CC(=O)C1(CC(C2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O

*Isomeric Smiles

CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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