5beta-Cholestanone

From DrugPedia: A Wikipedia for Drug discovery

[edit] Description

Show 3-D Structure

5beta-Cholestanone is an oxidation product of coprosterol. It is a substrate of cholestenone 5beta-reductase [EC 1.3.1.3] (KEGG).

[edit] General Properties

*Molecular Weight

386.65

*Molecular Formula

C₂₇H₄₆O

*IUPAC NAME

10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[b]phenanthren-3-one

*Canonical Smiles

CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C

*Isomeric Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]KEGG Compound
• [2]Human Metabolome DataBase