Methylprednisolone Impurity 53

cas: 111162-80-2 — see every product listed under this CAS number, including other names

Methylprednisolone Impurity 53 (CAS 111162-80-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-M200853
cas111162-80-2
sizeon request
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Structural formula: {0} (CAS {1})

(6S,8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione (CAS 111162-80-2) is a chemical compound with the molecular formula C22H28O4 and a molecular weight of 356.5 g/mol. IUPAC name: (6S,8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione. InChIKey: PSRYHQQVKMOFNA-RNUIGHNZSA-N.

Identity
Molecular formulaC22H28O4
Molecular weight356.5 g/mol
IUPAC name(6S,8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
InChIKeyPSRYHQQVKMOFNA-RNUIGHNZSA-N
SMILESC[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H28O4
1-(3,4-dimethoxyphenyl)-3-ethyl-5,6-dimethoxy-2-methyl-2,3-dihydro-1H-indene C22H28O4
[(6S,8R,9S,10R,13S,14S,17R)-17-ethynyl-6-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O4
(8S,10S,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H28O4
(2Z)-2-hydroxy-2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C22H28O4
(1S,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-14-hydroxy-2,8,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O4
(1S,2S,10S,11S,13R,14R,15S,17S)-14-acetyl-14-hydroxy-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O4
(1S,2S,11S,13R,14S,15S,17S)-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O4
[(6R,8R,9S,10R,13S,14S,17R)-17-ethynyl-6-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O4
(8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione C22H28O4
(2S,10S,11S,14R,15S)-14-acetyl-14-hydroxy-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H28O4
methyl 2-[(5-tert-butyl-2-methylphenyl)methoxymethyl]-6-methoxybenzoate C22H28O4

Also listed as

Methylprednisolone Impurity 25 Chemat Brand CAS 111162-80-2