Products 547-98-8
CAS 547-98-8 appears in our catalog under these names: Trihydroxycoprostanic Acid, Trihydroxycoprostanic Acid (Mixture of Diastereomers), Trihydroxycholestanoic Acid, Trihydroxycholestanoic Acid, 3,7,12-Trihydroxycoprostanoic acid. Offered by: Chemat Brand, TargetMol, GLPBio, Biosynth, Sigma-Aldrich. Available pack sizes: on request, 1mg, 5mg, 500ug, 500μg, 2mg, 10mg, 25mg.
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid is a steroid acid that is 5beta-cholestan-26-oic acid which is substituted by hydroxy groups as the 3alpha, 7alpha, and 12alpha positions. It has a role as a human metabolite. It is a hydroxy monocarboxylic acid, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a steroid acid. It is a conjugate acid of a 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate(1-). It derives from a hydride of a 5beta-cholestane.
Source: ChEBI
| Molecular formula | C27H46O5 |
|---|---|
| Molecular weight | 450.7 g/mol |
| 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]heptanoic acid |
| InChIKey | CNWPIIOQKZNXBB-VCVMUKOKSA-N |
| SMILES | C[C@H](CCCC(C)C(=O)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 |
Computed by PubChem (NCBI)
Synonyms:
Coprocholic acid, 3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid, Trihydroxycholestanoic acid, trihydroxycoprostanic acid, 3,7,12-trihydroxycholestan-26-oic acid, (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-oic acid, 3?,7?,12?-Trihydroxycoprostanic Acid, Coprocholate, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate, orb1692693