5 beta-bufol

From DrugPedia: A Wikipedia for Drug discovery

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Contents [hide] 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

Description

Show 3-D Structure

isolated from gall bladder of toad; identified in patients with cerebrotendinous xanthomatosis

General Properties

*Molecular Weight

452.67

*Molecular Formula

C₂₇H₄₈O₅

*IUPAC NAME

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-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(CCCC(C)(CO)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

*Isomeric Smiles

C[C@H](CCCC(C)(CO)O)[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

PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

External Links

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

Categories:Hormones