Products 53-35-0

CAS 53-35-0 appears in our catalog under these names: Hydrocortisone EP Impurity D, Hydrocortisone Impurity 4(Hydrocortisone EP Impurity D), 6beta-Hydroxy Cortisol, >95% (HPLC), 6beta,11beta,17,21-Tetrahydroxypregn-4-ene-3,20-dione (6beta-Hydroxyhydrocortisone), 6b-Hydroxy cortisol. Offered by: Chemat Brand, Hubei YoungXin, TRC, Mikromol, Biosynth. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, 2mg.

Structural formula: {0} (CAS {1})

6beta-hydroxycortisol is a C21-steroid that is cortisol bearing an additional hydroxy substituent at the 6beta-position. In humans, it is produced as a metabolite of cortisol by cytochrome p450-3A4 (CYP3A4, an important enzyme involved in the metabolism of a variety of exogenous and endogenous compounds) and can be used to detect moderate and potent CYP3A4 inhibition in vivo. It has a role as a probe, a mammalian metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 6beta-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid. It is functionally related to a cortisol.

Source: ChEBI

Identity
Molecular formulaC21H30O6
Molecular weight378.5 g/mol
IUPAC name(6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChIKeyGNFTWPCIRXSCQF-UJXAPRPESA-N
SMILESC[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O

Computed by PubChem (NCBI)