(11β)-21-(Acetyloxy)-9-fluoro-11-hydroxypregna-1,4,16-triene-3,20-dione

CAS Registry Number®

1250-85-7
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CAS Name

(11β)-21-(Acetyloxy)-9-fluoro-11-hydroxypregna-1,4,16-triene-3,20-dione

Molecular Formula

C23H27FO5

Molecular Mass

402.46

Cite this Page

(11β)-21-(Acetyloxy)-9-fluoro-11-hydroxypregna-1,4,16-triene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1250-85-7 (retrieved 2024-04-30) (CAS RN: 1250-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H27FO5/c1-13(25)29-12-19(27)18-7-6-16-17-5-4-14-10-15(26)8-9-22(14,3)23(17,24)20(28)11-21(16,18)2/h7-10,16-17,20,28H,4-6,11-12H2,1-3H3/t16-,17-,20-,21-,22-,23-/m0/s1

InChIKey

InChIKey=YVPGZUWNVLRAKT-XYNXPQAZSA-N

SMILES

F[C@@]12[C@]3(C)C(CC[C@]1([C@]4([C@](C)(C[C@@H]2O)C(C(COC(C)=O)=O)=CC4)[H])[H])=CC(=O)C=C3

Canonical SMILES

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

Other Names for this Substance

  • Pregna-1,4,16-triene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-, (11β)-
  • Pregna-1,4,16-triene-3,20-dione, 9-fluoro-11β,21-dihydroxy-, 21-acetate
  • (11β)-21-(Acetyloxy)-9-fluoro-11-hydroxypregna-1,4,16-triene-3,20-dione
  • 21-Acetoxy-9α-fluoro-11β-hydroxypregna-1,4,16-triene-3,20-dione
  • 21-Acetoxy-9a-fluoro-11b-hydroxypregna-1,4,16-triene-3,20-dione

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