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Pregna-4,16-diene-3,20-dione, 16-methyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Pregna-4,16-diene-3,20-dione, 16-methyl-
SpectraBase Compound ID 560bGrPxQVk
InChI InChI=1S/C22H30O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12,17-19H,5-11H2,1-4H3
InChIKey AATFZIOHQGNMOO-UHFFFAOYSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUWhMGizyGe
Name Pregna-4,16-diene-3,20-dione, 16-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.224580204 u
Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12,17-19H,5-11H2,1-4H3
InChIKey AATFZIOHQGNMOO-UHFFFAOYSA-N
Molecular Weight 326.480 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(CC3)=CC(CC2)=O)[H])[H])(CC(=C1C(C)=O)C)[H]