(11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

CAS Registry Number®

2135-14-0

CAS Name

(11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

Molecular Formula

C24H31FO5

Molecular Mass

418.50

Cite this Page

(11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]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=2135-14-0 (retrieved 2024-11-21) (CAS RN: 2135-14-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    294-296 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H31FO5/c1-13(26)24-19(29-20(2,3)30-24)11-17-16-7-6-14-10-15(27)8-9-21(14,4)23(16,25)18(28)12-22(17,24)5/h8-10,16-19,28H,6-7,11-12H2,1-5H3/t16-,17-,18-,19+,21-,22-,23-,24+/m0/s1

InChIKey

InChIKey=BSHYASCHOGHGHW-PIQRJGQMSA-N

SMILES

C(C)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)C)C4(C)CC(O)C32F)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17-trihydroxy-, cyclic 16,17-acetal with acetone
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17-trihydroxy-, cyclic 16,17-acetal with Me2CO
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
  • (11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration