Budesonide Impurity 16

cas: 77017-17-5 — see every product listed under this CAS number, including other names

Budesonide Impurity 16 (CAS 77017-17-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberULB0348
cas77017-17-5
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Structural formula: {0} (CAS {1})

(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 (CAS 77017-17-5) is a chemical compound with the molecular formula C21H26O5 and a molecular weight of 358.4 g/mol. IUPAC name: (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. InChIKey: HRAJFARIVRAKMV-JPEXYLPYSA-N.

Identity
Molecular formulaC21H26O5
Molecular weight358.4 g/mol
IUPAC name(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
InChIKeyHRAJFARIVRAKMV-JPEXYLPYSA-N
SMILESC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@H]2C(=O)C(O4)O)CCC5=CC(=O)C=C[C@]35C)O

Computed by PubChem (NCBI)

Synonyms: Budesonide Impurity 4, [2,1-b]Furan-4,9(2H,6aH)-dione Prednisolone, Budesonide Impurity 26, Prednisolone Impurity 2
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
(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 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
(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

Prednisolone Impurity 2 Chemat Brand CAS 77017-17-5
(2,1-b)Furan-4,9(2H,6aH)-dione Prednisolone TRC CAS 77017-17-5
(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7,10-Dihydroxy-6a,8a-dimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[2,1-b]furan-4,9(10H)-dione, 95%, 95% Chemat CAS 77017-17-5