9Beta,11Beta-Epoxy-17,21-dihydroxy-16Beta-methylpregna-1,4-diene-3,20-dione 21-Acetate
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Product Overview
Product Code
TRC-E589185
CAS Number
EP Description
Betamethasone Acetate EP Impurity D
Product Format
Neat
Molecular Formula
C24H30O6
Molecular Weight
414.49
API Family
BetamethasoneProduct Categories
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
9beta,11beta-Epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-Acetate
CAS Number
912-38-9
Molecular Formula
C24H30O6
Molecular Weight
414.49
Accurate Mass
414.2042
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C
InChI
InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h7-8,10,13,17-18,20,28H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,20-,21-,22-,23-,24+/m0/s1
IUPAC
[2-[(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
Product Description
9b,11b-Epoxy-17,21-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione 21-Acetate is an intermediate in the production of Betamethasone (B327000), which is a glucocorticoid used as an anti-inflammatory agent.
References: Ferrante, M.G., et al.: Anal. Profiles Drug Subs., 6, 43 (1977), Li, A., et al.: Chem. Biol. Interact., 142, 7 (2002), Cruz-Monteagudo, M., et al.: Eur. J. Med. Chem., 40, 1030 (2005), Rothfuss, A., et al.: Chem. Res. Toxicol., 19, 1313 (2006)