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3044-42-6

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3044-42-6 Structure

3044-42-6 Structure
IdentificationBack Directory
[Name]

11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
[CAS]

3044-42-6
[Synonyms]

Budesonide triene
Budesonide iMpurit 15
Budesonide Impurity 3
Budesonide Impurity 15
Budesonide Impurity 32
Budesonide Impurity 22
Budesonide intermediate
Budesonide 1,4,16-Triene Impurity
21-Acetoxy-112-hydroxypregna-1,4,16-triene-3,20-dione
21-acetoxy-11β-hydroxypregna-1,4,16-triene-3,20-dione
21-acetoxy-11β-hydroxyl-1,4,16-pregnatriene-3,20-dione
21-Acetyloxy-11β-hydroxypregna-1,4,16-triene-3,20-dione
11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
(11b)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
Pregna-1,4,16-triene-3,20-dione,21-(acetyloxy)-11-hydroxy-, (11b)-
Budesonide Impurity 3/(11?)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
[2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Acetate
2-((8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
[EINECS(EC#)]

221-250-9
[Molecular Formula]

C23H28O5
[MDL Number]

MFCD18910603
[MOL File]

3044-42-6.mol
[Molecular Weight]

384.47
Chemical PropertiesBack Directory
[Melting point ]

208-209 °C
[Boiling point ]

553.4±50.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DCM, Ethyl Acetate
[form ]

Solid
[pka]

14.30±0.70(Predicted)
[color ]

Brown
[Major Application]

pharmaceutical small molecule
[InChIKey]

ABGUZAVIFZZDDZ-ADBLJHFGNA-N
[SMILES]

C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)C(C(=O)COC(=O)C)=CC3)CC2 |&1:4,8,10,12,14,16,r|
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361-H412
[Precautionary statements ]

P273-P501-P201-P202-P281-P308+P313-P405-P501
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Repr. 2
Hazard InformationBack Directory
[Uses]

21-Acetoxy-11β-hydroxypregna-1,4,16-triene-3,20-dione is an intermediate in the synthesis of Budesonide (B689490) related derivatives.
Spectrum DetailBack Directory
[Spectrum Detail]

11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate(3044-42-6)1HNMR
11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate(3044-42-6)13CNMR
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