Beta-Cortol

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 given in first source

[edit] General Properties

*Molecular Weight

368.51

*Molecular Formula

C₂₇H₄₄O₁₁

*IUPAC NAME

(2S,3S,4R,5R,6R)-6-[(10S,11R,13S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

*Canonical Smiles

CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O)C5(C(C(C(C(O5)C(=O)O)O)O)O)O

*Isomeric Smiles

C[C@]12CCC(CC1CCC3C2[C@@H](C[C@]4(C3CC[C@@]4([C@H](CO)O)O)C)O)[C@@]5([C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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