Prednisone Impurity 2

cas: 38680-83-0 — see every product listed under this CAS number, including other names

Prednisone Impurity 2 (CAS 38680-83-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberULP11156
cas38680-83-0
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Structural formula: {0} (CAS {1})

[2-[(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate (CAS 38680-83-0) is a chemical compound with the molecular formula C23H28O6 and a molecular weight of 400.5 g/mol. IUPAC name: [2-[(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate. InChIKey: DBNHODAAFAHQNY-WWUWEVONSA-N.

Identity
Molecular formulaC23H28O6
Molecular weight400.5 g/mol
IUPAC name[2-[(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
InChIKeyDBNHODAAFAHQNY-WWUWEVONSA-N
SMILESCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)O

Computed by PubChem (NCBI)

Synonyms: 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate, (9beta,11beta)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione, 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate, DBNHODAAFAHQNY-WWUWEVONSA-N, 9beta,11beta-epoxy-21-acetoxy-17-hydroxy-pregna-1,4-diene-3,20-dione, 9beta,11beta-epoxy-21-acetoxy-17-hydroxypregna-1,4-diene-3,20-dione, 17-Hydroxy-3,20-dioxo-9beta,11beta-9,11-epoxypregna-1,4-dien-21-yl acetate, 9beta-Pregna-1,4-diene-3,20-dione, 9,11beta-epoxy-17,21-dihydroxy-, 21-acetate
Isomers (same molecular formula)
3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene C23H28O6
(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol C23H28O6
[2-[(8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O6
[2-[(8S,9S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O6
[2-[(10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O6
[(8S,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate C23H28O6
(1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylic acid C23H28O6
tert-butyl 2-[3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy]acetate C23H28O6
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O6
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol C23H28O6
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O6
(9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene C23H28O6

Also listed as

Prednisolone Impurity 16 Hubei YoungXin CAS 38680-83-0