(6α,9β,11β)-17,21-Bis(acetyloxy)-9,11-epoxy-6-fluoropregna-1,4-diene-3,20-dione

CAS Registry Number®

72498-89-6

CAS Name

(6α,9β,11β)-17,21-Bis(acetyloxy)-9,11-epoxy-6-fluoropregna-1,4-diene-3,20-dione

Molecular Formula

C25H29FO7

Molecular Mass

460.49

Cite this Page

(6α,9β,11β)-17,21-Bis(acetyloxy)-9,11-epoxy-6-fluoropregna-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=72498-89-6 (retrieved 2024-11-24) (CAS RN: 72498-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3/t16-,17-,19-,21-,22-,23-,24-,25+/m0/s1

InChIKey

InChIKey=LNYMKQGFLVFMOI-KYAOAOQCSA-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])(CC[C@@]5(C(COC(C)=O)=O)OC(C)=O)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC5OC532)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-9,11-epoxy-6-fluoro-, (6α,9β,11β)-
  • (6α,9β,11β)-17,21-Bis(acetyloxy)-9,11-epoxy-6-fluoropregna-1,4-diene-3,20-dione

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