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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020234

3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid

Formula: C27H46O5  |  Mol. Weight: 450.70 g/mol

IUPAC: (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]heptanoic acid

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Overview

Molecular Formula C27H46O5
Molecular Weight 450.70 g/mol
Canonical SMILES CC(CCCC(C)C(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy