11beta,20-Dihydroxy-3-oxo-Pregna-1,4-dien-21-oic Acid

cas: 75448-52-1 — see every product listed under this CAS number, including other names

11beta,20-Dihydroxy-3-oxo-Pregna-1,4-dien-21-oic Acid (CAS 75448-52-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-P730880-100MG
cas75448-52-1
size100mg

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properties

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

2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid (CAS 75448-52-1) is a chemical compound with the molecular formula C21H28O5 and a molecular weight of 360.4 g/mol. IUPAC name: 2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid. InChIKey: BWKUSYNDLDKBKL-WVQAOHMYSA-N.

Identity
Molecular formulaC21H28O5
Molecular weight360.4 g/mol
IUPAC name2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid
InChIKeyBWKUSYNDLDKBKL-WVQAOHMYSA-N
SMILESC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(C(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O

Computed by PubChem (NCBI)

Synonyms: 11?,20-Dihydroxy-3-oxo-Pregna-1,4-dien-21-oic Acid
Isomers (same molecular formula)
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5
(8S,9S,10R,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O5
(8S,9S,10R,13S,14S,17R)-1,2-dideuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O5
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 C21H28O5
(8R,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5
(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one C21H28O5
11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5

Also listed as

Prednisone Impurity 25 Chemat Brand CAS 75448-52-1