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Pregn-4-ene-3,20-dione, 21-hydroxy-
SpectraBase Compound ID KJyjpAgCMGq
InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3
InChIKey ZESRJSPZRDMNHY-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3d9612ghBa
Name Desoxycortone
CAS Registry Number 64-85-7
Classification Corticoid
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Exact Mass 330.219494823 u
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3
InChIKey ZESRJSPZRDMNHY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 330.468 g/mol
SMILES C1C(C=C2CCC3C4C(CCC3C2(C)C1)(C(CC4)C(CO)=O)C)=O
SPLASH splash10-00gv-4931000000-8d3eaabdbb8d527c5161
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_6069