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1-Dehydrocortisol

View entire compound with spectra: 6 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 2 MS (GC)

1-Dehydrocortisol
SpectraBase Compound ID BkJOymUIdHC
InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey OIGNJSKKLXVSLS-VWUMJDOOSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gBbC9B77gl
Name 1-Dehydrocortisol
Source of Sample E. Merck AG, Darmstadt, Germany
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey OIGNJSKKLXVSLS-VWUMJDOOSA-N
Molecular Weight 360.45
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PREDNISOLONE PREGNA-1,4-DIENE-3,20-DIONE, 11B,17,21-TRIHYDROXY-,