5beta-Cholestane-3alpha,7alpha,12alpha,23-tetrol

From DrugPedia: A Wikipedia for Drug discovery

[edit] Description

Show 3-D Structure

[edit] General Properties

*Molecular Weight

436.67

*Molecular Formula

C₂₇H₄₈O₄

*IUPAC NAME

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

*Canonical Smiles

CC(C)CC(CC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)O

*Isomeric Smiles

CC(C)CC(C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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