Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-

CAS Registry Number®

6598-95-4
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CAS Name

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-

Molecular Formula

C26H31FO7

Molecular Mass

474.52

Cite this Page

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6598-95-4 (retrieved 2024-06-27) (CAS RN: 6598-95-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H31FO7/c1-13(28)31-12-19(30)26-20(32-22(2,3)34-26)10-15-16-9-18(27)17-8-14(29)6-7-23(17,4)25(16)21(33-25)11-24(15,26)5/h6-8,15-16,18,20-21H,9-12H2,1-5H3/t15-,16-,18-,20+,21-,23-,24-,25+,26+/m0/s1

InChIKey

InChIKey=MQQZOQZVFKAHJB-ANHKYHMRSA-N

SMILES

C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(C[C@H](F)C1=CC(=O)C=C2)[H])(C[C@@]6([C@@]5(C(COC(C)=O)=O)OC(C)(C)O6)[H])[H])[H]

Canonical SMILES

O=C(OCC(=O)C12OC(OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C64OC6CC31C)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-
  • 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-6α-fluoro-16α,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, 21-acetate
  • Naphth[2′,1′:4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.