21-Acetoxy-9-fluoro-11β-hydroxy-16α-methylpregna-1,4-diene-3,20-dione

CAS Registry Number®

1597-78-0
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CAS Name

21-Acetoxy-9-fluoro-11β-hydroxy-16α-methylpregna-1,4-diene-3,20-dione

Molecular Formula

C24H31FO5

Molecular Mass

418.50

Cite this Page

21-Acetoxy-9-fluoro-11β-hydroxy-16α-methylpregna-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=1597-78-0 (retrieved 2024-05-17) (CAS RN: 1597-78-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    254 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H31FO5/c1-13-9-18-17-6-5-15-10-16(27)7-8-23(15,4)24(17,25)20(29)11-22(18,3)21(13)19(28)12-30-14(2)26/h7-8,10,13,17-18,20-21,29H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20+,21-,22+,23+,24+/m1/s1

InChIKey

InChIKey=HRPWQACPJGPYRH-XHFUFBBFSA-N

SMILES

F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@@H](C(COC(C)=O)=O)[C@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(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-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,21-dihydroxy-16α-methyl-, 21-acetate
  • Pregna-1,4-diene-3,20-dione, 9α-fluoro-11β,21-dihydroxy-16α-methyl-, 21-acetate
  • (11β,16α)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 9α-Fluoro-16α-methylpregna-1,4-diene-11β,21-diol-3,20-dione-21-acetate

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