(11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

CAS Registry Number®

5919-89-1

CAS Name

(11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

Molecular Formula

C29H39FO7

Molecular Mass

518.61

Cite this Page

(11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)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=5919-89-1 (retrieved 2024-09-27) (CAS RN: 5919-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H39FO7/c1-6-7-8-25(35)37-29(24(34)16-36-18(3)31)17(2)13-22-21-10-9-19-14-20(32)11-12-26(19,4)28(21,30)23(33)15-27(22,29)5/h11-12,14,17,21-23,33H,6-10,13,15-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1

InChIKey

InChIKey=QSZKFXMOBKKROF-YCUXZELOSA-N

SMILES

C(COC(C)=O)(=O)[C@]1(OC(CCCC)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CCCC)(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-17-[(1-oxopentyl)oxy]-, (11β,16β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 21-acetate 17-valerate
  • (11β,16β)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

Deleted or Replaced CAS Registry Numbers

59783-18-5