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
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
C26H31FO7Molecular Mass
474.52Cite 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 ) (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.