(11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione

CAS Registry Number®

5534-05-4

CAS Name

(11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione

Molecular Formula

C28H37FO7

Molecular Mass

504.59

Cite this Page

(11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5534-05-4 (retrieved 2024-11-21) (CAS RN: 5534-05-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H37FO7/c1-15(2)24(34)36-28(23(33)14-35-17(4)30)16(3)11-21-20-8-7-18-12-19(31)9-10-25(18,5)27(20,29)22(32)13-26(21,28)6/h9-10,12,15-16,20-22,32H,7-8,11,13-14H2,1-6H3/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1

InChIKey

InChIKey=KGNVBESWWSSQAN-QEVRMTOFSA-N

SMILES

C(COC(C)=O)(=O)[C@]1(OC(C(C)C)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)C(C)C)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-(2-methyl-1-oxopropoxy)-, (11β,16β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 21-acetate 17-isobutyrate
  • (11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione
  • Betamethasone 21-acetate 17-isobutyrate
  • Betamethasone acibutate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration