21-Dehydro-6alpha-Methylprednisolone, Partially Hydrated

cas: 58636-50-3 — see every product listed under this CAS number, including other names

21-Dehydro-6alpha-Methylprednisolone, Partially Hydrated (CAS 58636-50-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-D229715-100MG
cas58636-50-3
size100mg
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Structural formula: {0} (CAS {1})

2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde (CAS 58636-50-3) is a chemical compound with the molecular formula C22H28O5 and a molecular weight of 372.5 g/mol. IUPAC name: 2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde. InChIKey: QZZDSEJBNWOIRY-PJHHCJLFSA-N.

Identity
Molecular formulaC22H28O5
Molecular weight372.5 g/mol
IUPAC name2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
InChIKeyQZZDSEJBNWOIRY-PJHHCJLFSA-N
SMILESC[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)C=O)O

Computed by PubChem (NCBI)

Synonyms: Methylprednisolone Acetate EP Impurity C, 21-Dehydro-6alpha-Methylprednisolone, Partially Hydrated, 21-Dehydro-6alpha-methylprednisolone, Methylprednisolone Impurity N1, 21-Dehydro-6alpha-methyl prednisolone, Methylprednisolone acetate impurity C [EP], METHYLPREDNISOLONE ACETATE IMPURITY C [EP IMPURITY], 11beta,17-Dihydroxy-6alpha-methylpregna-1,4-diene-3,20,21-trione, Pregna-1,4-dien-21-al, 11beta,17-dihydroxy-6alpha-methyl-3,20-dioxo-, Pregna-1,4-dien-21-al, 11,17-dihydroxy-6-methyl-3,20-dioxo-, (6alpha,11beta)-
Isomers (same molecular formula)
(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C22H28O5
4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid C22H28O5
[(8R,9S,13S,14S,16R,17R)-17-acetyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate C22H28O5
(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O5
(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O5
(8S,9S,10R,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C22H28O5
(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C22H28O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one C22H28O5
(1R,2S,10S,11S,13S,14R,15S,17R)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O5
(1R,2S,10S,11S,13R,14R,15S,17R)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O5
(10S,11S,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H28O5
(2R,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane C22H28O5

Also listed as

Methylprednisolone Acetate EP Impurity C Chemat Brand CAS 58636-50-3
Methylprednisolone Impurity 14 Hubei YoungXin CAS 58636-50-3
21-Dehydro-6a-Methylprednisolone, Partially Hydrated (mixture of the aldehyde and the hydrated form) TRC CAS 58636-50-3
21-Dehydro-6alpha-methylprednisolone Biosynth CAS 58636-50-3
Methylprednisolone EP Impurity B (Methylprednisolone Acetate EP Impurity C) Chemat Brand CAS 58636-50-3 (aldehyde)