Want to comment
on this record?

(8α,11α,13α,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione

ChemSpider ID: 21469488
Molecular Formula: C₂₂H₂₉FO₅
Average mass: 392.460999 Da
Monoisotopic mass: 392.200012 Da
Systematic name

(8α,11α,13α,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
SMILES and InChIs

SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C Copied

Std. InChI:

InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16+,17-,19+,20-,21+,22+/m1/s1 Copied

Std. InChIKey:

UREBDLICKHMUKA-KUVOKLPYSA-N Copied
Cite this record
CSID:21469488, http://www.chemspider.com/Chemical-Structure.21469488.html (accessed 04:07, May 19, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

206-825-4 [EINECS]

9a-Fluoro-11b,17a,21-trihydroxy-16b-methylpregna-1,4-diene-3,20-dione; 9α-Fluoro-16β-methylprednisolone

9α-Fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,20-dione

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Advertise Sponsor