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CAS 6598-95-4

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Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-

Description:
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-, commonly known as a synthetic steroid, exhibits a complex molecular structure characterized by multiple functional groups, including ketones, acetoxy, and epoxy groups. This compound is part of the broader class of corticosteroids, which are known for their anti-inflammatory and immunosuppressive properties. The presence of fluorine in its structure often enhances its biological activity and metabolic stability. The stereochemistry indicated by the specific configuration at various carbon centers suggests that it may interact with biological receptors in a highly selective manner. Such compounds are typically utilized in medical applications, particularly in the treatment of inflammatory conditions and hormonal imbalances. The CAS number 6598-95-4 allows for precise identification and retrieval of information regarding this substance in chemical databases, facilitating research and development in pharmacology and medicinal chemistry.
Formula:C26H31FO7
InChI:InChI=1S/C26H31FO7/c1-13(28)31-12-19(30)26-20(32-22(2,3)34-26)10-15-16-9-18(27)17-8-14(29)6-7-23(17,4)25(16)21(33-25)11-24(15,26)5/h6-8,15-16,18,20-21H,9-12H2,1-5H3/t15-,16-,18-,20+,21-,23-,24-,25+,26+/m0/s1
InChI key:InChIKey=MQQZOQZVFKAHJB-ANHKYHMRSA-N
SMILES:C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(C[C@H](F)C1=CC(=O)C=C2)[H])(C[C@@]6([C@@]5(C(COC(C)=O)=O)OC(C)(C)O6)[H])[H])[H]
Synonyms:
  • 2-[(4aS,4bS,5aS,6aS,6bS,9aR,10aS,10bS,12S)-12-fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydronaphtho[2',1':4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl]-2-oxoethyl acetate
  • 9beta,11beta-Epoxy-6alpha-fluoro-21-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
  • 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-6α-fluoro-16α,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, 21-acetate
  • Naphth[2′,1′:4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-
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