9-Fluoroprednisolone

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Systematic / IUPAC Name: (11β)-9-Fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione

ID: Reference7306

Other Names: Deltafludrocortisone;
Isoflupredone;
(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11β)-

Formula: C21H27FO5

Spectral Data

9-Fluoroprednisolone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/1/2018 9:15:21 AM
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Identificators

InChI InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChI Key WAIJIHDWAKJCBX-BULBTXNYSA-N
Canonical SMILES CC12CC(C3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O
CAS
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Other Names Deltafludrocortisone;
Isoflupredone;
(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11β)-

In Other Databases

ChemSpider 113134
ChEBI CHEBI:34511
Wikipedia Isoflupredone
PubChem 127516
KEGG C14484