Pregna-1,4,9(11),16-tetraene-3,20-dione, 21-(acetyloxy)-2-bromo-6-fluoro-, (6β)-

CAS Registry Number®

60892-57-1

CAS Name

Pregna-1,4,9(11),16-tetraene-3,20-dione, 21-(acetyloxy)-2-bromo-6-fluoro-, (6β)-

Molecular Formula

C23H24BrFO4

Molecular Mass

463.34

Cite this Page

Pregna-1,4,9(11),16-tetraene-3,20-dione, 21-(acetyloxy)-2-bromo-6-fluoro-, (6β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60892-57-1 (retrieved 2025-07-02) (CAS RN: 60892-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H24BrFO4/c1-12(26)29-11-21(28)16-5-4-14-13-8-19(25)17-9-20(27)18(24)10-23(17,3)15(13)6-7-22(14,16)2/h5-6,9-10,13-14,19H,4,7-8,11H2,1-3H3/t13-,14-,19+,22-,23+/m0/s1

InChIKey

InChIKey=XKZWOGXOACFWQZ-CKCVXRQJSA-N

SMILES

C[C@@]12C=3[C@]([C@]4([C@](C)(CC3)C(C(COC(C)=O)=O)=CC4)[H])(C[C@@H](F)C1=CC(=O)C(Br)=C2)[H]

Canonical SMILES

O=C1C=C2C(F)CC3C(=CCC4(C(=CCC34)C(=O)COC(=O)C)C)C2(C=C1Br)C

Other Names for this Substance

  • Pregna-1,4,9(11),16-tetraene-3,20-dione, 21-(acetyloxy)-2-bromo-6-fluoro-, (6β)-

Deleted or Replaced CAS Registry Numbers

67546-46-7

CAS INSIGHTSTM
Aspergillus fungus, computer illustration. This is a toxic fungus that causes diseases in humans.