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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 LWcLCmsKSIJ
Name Betamethasone
CAS Registry Number 378-44-9
Classification Corticoid
Copyright Copyright © 2023-2024 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
SMILES C12(C(C3CCC=4C(C3(C(C2)O)F)(C=CC(C4)=O)C)CC(C1(C(=O)CO)O)C)C
SPLASH splash10-00di-4910000000-e6054bad936ea2bb4b88
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5220