Desoximetasone Impurity 13

cas: 78761-59-8 — see every product listed under this CAS number, including other names

Desoximetasone Impurity 13 (CAS 78761-59-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULD113024
cas78761-59-8
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(8S,9S,10R,11R,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one (CAS 78761-59-8) is a chemical compound with the molecular formula C22H30O5 and a molecular weight of 374.5 g/mol. IUPAC name: (8S,9S,10R,11R,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one. InChIKey: WNYLPFCKNQAAMB-JPDWDDBRSA-N.

Identity
Molecular formulaC22H30O5
Molecular weight374.5 g/mol
IUPAC name(8S,9S,10R,11R,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
InChIKeyWNYLPFCKNQAAMB-JPDWDDBRSA-N
SMILESC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 11alpha,17alpha,21-Trihydroxy-16alpha-methyl-1,4-pregnadiene-3,20-dione, 11alpha,17,21-Trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, (11alpha,16alpha)-11,17,21-Trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 11a,17a,21-Trihydroxy-16a-methyl-1,4-pregnadiene-3,20-dione, 11I+/-,17I+/-,21-Trihydroxy-16I+/--methyl-1,4-pregnadiene-3,20-dione, (11OE+/-,16OE+/-)-11,17,21-Trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 1OE+/-,17OE+/-,21-Trihydroxy-16OE+/--methyl-1,4-pregnadiene-3,20-dione
Related forms of this compound
(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O5
(8S,9S,10R,11R,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O5
(8S,9S,10R,11S,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O5
Isomers (same molecular formula)
2-[(2E)-2-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]ethoxy]acetic acid C22H30O5
(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O5
(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C22H30O5
7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]heptanoic acid C22H30O5
(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]octadec-6-en-5-one C22H30O5
(6R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O5
(6S,8S,9S,10R,11S,13S,14S,17S)-17-(2,2-dihydroxyacetyl)-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C22H30O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6-methylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C22H30O5
4-[[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid C22H30O5

Also listed as

11Alpha,17Alpha,21-Trihydroxy-16Alpha-methyl-1,4-pregnadiene-3,20-dione, >95% (HPLC) TRC CAS 78761-59-8
(11alpha,16alpha)-11,17,21-Trihydroxy-16-methylpregna-1,4-diene-3,20-dione Biosynth CAS 78761-59-8