Hydrocortisone EP Impurity D

cas: 53-35-0 — see every product listed under this CAS number, including other names

Hydrocortisone EP Impurity D (CAS 53-35-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC2711
cas53-35-0
sizeon request
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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)

Synonyms: 6beta-Hydroxycortisol, 6 beta-hydroxycortisol, 6beta,11beta,17alpha,21-Tetrahydroxypregn-4-en-3,20-dione, 6beta,11beta,17,21-tetrahydroxypregn-4-ene-3,20-dione, 6,11 beta,17,21-tetrahydroxypregn-4-ene-3,20-dione, Hydrocortisone EP Impurity D, 6b-Hydroxy Cortisol, 6beta-Hydroxy cortisol, 6-beta-hydroxycortisol, 6|A-Hydroxycortisol
Related forms of this compound
(6S,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 C21H30O6
(6R,8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C21H30O6
Isomers (same molecular formula)
tributyl benzene-1,2,4-tricarboxylate C21H30O6
(8S,9R,10S,11R,13R,14R,17R)-9,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(1S,2S,5R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one C21H30O6
(8R,9S,10R,11S,13S,14R,17R)-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde;hydrate C21H30O6
(1S,2S,5R,6R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one C21H30O6
3,4-bis(hexoxycarbonyl)benzoic acid C21H30O6

Also listed as

Hydrocortisone Impurity 4（Hydrocortisone EP Impurity D） Hubei YoungXin CAS 53-35-0
6beta-Hydroxy Cortisol, >95% (HPLC) TRC CAS 53-35-0
6beta,11beta,17,21-Tetrahydroxypregn-4-ene-3,20-dione (6beta-Hydroxyhydrocortisone) Mikromol CAS 53-35-0
6b-Hydroxy cortisol Biosynth CAS 53-35-0
Hydrocortisone impurity 1 MedChemExpress CAS 53-35-0