3,7,12-trihydroxycholestan-26-al

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

structure in first source

[edit] General Properties

*Molecular Weight

434.65

*Molecular Formula

C₂₇H₄₆O₄

*IUPAC NAME

(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanal

*Canonical Smiles

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

*Isomeric Smiles

CC(CCC[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)C=O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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