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Androst-2-en-17-one, 4,4-dimethyl-, (5.alpha.)-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Androst-2-en-17-one, 4,4-dimethyl-, (5.alpha.)-
SpectraBase Compound ID 1nVUIWdkNXq
InChI InChI=1S/C21H32O/c1-19(2)11-5-12-20(3)16-10-13-21(4)15(7-9-18(21)22)14(16)6-8-17(19)20/h5,11,14-17H,6-10,12-13H2,1-4H3
InChIKey VOYAWCJWTJBGCS-UHFFFAOYSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw8otVk4pug
Name Androst-2-en-17-one, 4,4-dimethyl-, (5.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.245315649 u
Formula C21H32O
InChI InChI=1S/C21H32O/c1-19(2)11-5-12-20(3)16-10-13-21(4)15(7-9-18(21)22)14(16)6-8-17(19)20/h5,11,14-17H,6-10,12-13H2,1-4H3
InChIKey VOYAWCJWTJBGCS-UHFFFAOYSA-N
SMILES C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)C(=O)CC4)[H])(CC[C@]2(C(C)(C)C=CC1)[H])[H])[H]