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CAS 910-99-6

:

(16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione

Description:
The chemical substance known as "(16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione," with the CAS number 910-99-6, is a synthetic steroid that belongs to the class of corticosteroids. It is characterized by its complex steroidal structure, which includes multiple functional groups such as hydroxyl (-OH) and acetoxy (-OCOCH3) groups, contributing to its biological activity. This compound exhibits anti-inflammatory and immunosuppressive properties, making it useful in various therapeutic applications, particularly in the treatment of inflammatory and autoimmune conditions. Its mechanism of action typically involves the modulation of gene expression and inhibition of pro-inflammatory cytokines. The presence of the acetyloxy group enhances its lipophilicity, facilitating better absorption and bioavailability. Additionally, the specific stereochemistry of the molecule plays a crucial role in its interaction with steroid receptors, influencing its potency and efficacy. Overall, this compound is significant in medicinal chemistry and pharmacology, particularly in the development of steroid-based therapies.
Formula:C24H30O5
InChI:InChI=1S/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3/t14-,18+,20-,22-,23-,24-/m0/s1
InChI key:InChIKey=AAPZMQVULRVUEU-NZDAKWCRSA-N
SMILES:C[C@@]12[C@]([C@]3(C(=CC1)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])(C[C@H](C)[C@@]2(C(COC(C)=O)=O)O)[H]
Synonyms:
  • Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-17-hydroxy-16-methyl-, (16β)-
  • (16beta)-17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate
  • (16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
  • Pregna-1,4,9(11)-triene-3,20-dione, 17,21-dihydroxy-16β-methyl-, 21-acetate
  • 21-acetoxy-17-alpha-hydroxy-16-beta-methylpregna-1,4,9(11)-triene-3,20-dione
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