16alpha,17,21-Trihydroxy-pregna-1,4,9(11)-triene-3,20-dione

cas: 39672-76-9 — see every product listed under this CAS number, including other names

16alpha,17,21-Trihydroxy-pregna-1,4,9(11)-triene-3,20-dione (CAS 39672-76-9) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-T794970-25MG
cas39672-76-9
size25mg
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purityNo data
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Structural formula: {0} (CAS {1})

(8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one (CAS 39672-76-9) is a chemical compound with the molecular formula C21H26O5 and a molecular weight of 358.4 g/mol. IUPAC name: (8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one. InChIKey: NBMLXCZPHIKRLO-OWHLRFHBSA-N.

Identity
Molecular formulaC21H26O5
Molecular weight358.4 g/mol
IUPAC name(8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
InChIKeyNBMLXCZPHIKRLO-OWHLRFHBSA-N
SMILESC[C@]12CC=C3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C

Computed by PubChem (NCBI)

Synonyms: 16alpha,17,21-Trihydroxy-pregna-1,4,9(11)-triene-3,20-dione, 16?,17,21-Trihydroxy-pregna-1,4,9(11)-triene-3,20-dione, Budesonide Impurity N2, 16|A,17,21-Trihydroxy-pregna-1,4,9(11)-triene-3,20-dione
Isomers (same molecular formula)
3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol C21H26O5
(1S,2S,4R,6S,7S,9S,10S,11R)-9-hydroxy-6-(2-hydroxyacetyl)-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-12,15-dien-14-one C21H26O5
(3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione C21H26O5
(1S,2S,4R,8S,9S,11S,12S,13R)-6,11-dihydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-7,16-dione C21H26O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one C21H26O5
(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]octadeca-3,6-dien-5-one C21H26O5
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H26O5
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one C21H26O5
2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H26O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O5
1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one C21H26O5
9-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)nonan-1-one C21H26O5

Also listed as

Budesonide Impurity 11 Chemat Brand CAS 39672-76-9
Budesonide Impurity 48 Chemat Brand CAS 39672-76-9
(16alpha)-16,17,21-Trihydroxypregna-1,4, Supelco CAS 39672-76-9