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13796-49-1

13796-49-1 Structure

13796-49-1 Structure
IdentificationBack Directory
[Name]

9-Bromo-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 21-acetate
[CAS]

13796-49-1
[Synonyms]

9-Bromo-11β,17,21-trihydroxy-16α-methyl-pregna-1,4-diene-3,20-dione 21-Acetate
2-((8S,9R,10S,11S,13S,14S,16R,17R)-9-bromo-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
[Molecular Formula]

C24H31BrO6
[MDL Number]

MFCD19705182
[MOL File]

13796-49-1.mol
[Molecular Weight]

495.4
Chemical PropertiesBack Directory
[Boiling point ]

619.1±55.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[pka]

12.12±0.70(Predicted)
[InChIKey]

PLVGDQKUTWULDB-ZCRJCDFHNA-N
[SMILES]

C1(=O)C=C2[C@](C)(C=C1)C1(Br)[C@]([H])([C@@]3([H])[C@@](CC1O)(C)[C@@](O)(C(=O)COC(=O)C)C(C)C3)CC2 |&1:4,10,12,14,19,r|
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

9-Bromo-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 21-acetate is Off-white Solid
[Uses]

9-Bromo-11β,17,21-trihydroxy-16α-methyl-pregna-1,4-diene-3,20-dione 21-Acetate is an intermediate used in the preparation of 9α-bromo-11β-hydroxy-substituted steroids and 6-hydroxycorticosteroids.
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