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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVVIlzaG0gJ
Name Prednisolone (or breakdown product)
Copyright Copyright © 2020-2024 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 360.450 g/mol
SMILES OCC([C@]1(CC[C@]2([C@@]3(CCC4=CC(C=C[C@@]4([C@]3([C@](C[C@]12C)(O)[H])[H])C)=O)[H])[H])O)=O
SPLASH splash10-00di-3900000000-c3b228f7a12d79cd5baa
Source of Spectrum SWG-33-3053-0
Synonyms (11.beta.)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 1810017