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9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
SpectraBase Compound ID IddmBCztFCb
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
InChIKey UREBDLICKHMUKA-UHFFFAOYSA-N
Mol Weight 392.47 g/mol
Molecular Formula C22H29FO5
Exact Mass 392.199902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JInUSXhkuCO
Name Betamethasone
CAS Registry Number 378-44-9
Classification Pharmaceutical drug, glucocorticosteroid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 392.199902192 u
Formula C22H29FO5
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
InChIKey UREBDLICKHMUKA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 392.467 g/mol
Nominal Mass 392 u
Quality 996
Retention Index 3000
SMILES OCC(C1(C2(C(C3C(C4(C(CC3)=CC(C=C4)=O)C)(C(C2)O)F)CC1C)C)O)=O
SPLASH splash10-00di-1920000000-4ac55452e7ed06850f84
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro- 11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-\rtrimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro- 3H-cyclopenta[a]phenanthren-3-one
Technique GC/MS
Wiley ID DD2024_018628