Products 3836-01-9
CAS 3836-01-9 is the registry number for 3α,7α,12α-Trihydroxy-5β-cholestan-26-al. Offered by: MedChemExpress. Available pack sizes: Get quote.
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al is a cholestanoid that is 5beta-cholestan-26-al substituted by hydroxy groups at positions 3, 7 and 12 respectively. It has a role as a human metabolite. It is a steroid aldehyde, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid, a 26-oxo steroid and a cholestanoid. It derives from a hydride of a 5beta-cholestane.
Source: ChEBI
| Molecular formula | C27H46O4 |
|---|---|
| Molecular weight | 434.7 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]heptanal |
| InChIKey | USFJGINJGUIFSY-XZULNKEGSA-N |
| SMILES | C[C@H](CCCC(C)C=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:
3,7,12-Trihydroxycholestan-26-al, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al, (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al, 3 alpha,7-alpha,12 alpha-trihydroxy-5 beta-cholestan-26-al, 3alpha,7-alpha,12alpha-Trihydroxy-5beta-cholestan-26-al, 3a,7a,12a-Trihydroxy-5b-cholestan-26-al, Cholestan-26-al, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-, 3-alpha-7-alpha-12-alpha-trihydroxy-5-beta-cholestan-26-al