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4-Chloro-17.alpha.-methyltestosterone, o-acetyl
SpectraBase Compound ID 68s7nK2xN9M
InChI InChI=1S/C22H31ClO3/c1-13(24)26-22(4)12-8-16-14-5-6-17-19(23)18(25)9-10-20(17,2)15(14)7-11-21(16,22)3/h14-16H,5-12H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1
InChIKey SEFDQZFGEWFEPW-OFUYBIASSA-N
Mol Weight 378.94 g/mol
Molecular Formula C22H31ClO3
Exact Mass 378.196173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5IjhMxjimV
Name 4-Chloro-17.alpha.-methyltestosterone, o-acetyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.196172555 u
Formula C22H31ClO3
InChI InChI=1S/C22H31ClO3/c1-13(24)26-22(4)12-8-16-14-5-6-17-19(23)18(25)9-10-20(17,2)15(14)7-11-21(16,22)3/h14-16H,5-12H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1
InChIKey SEFDQZFGEWFEPW-OFUYBIASSA-N
Molecular Weight 378.940 g/mol
SMILES C1(CC[C@@]2(C)C(=C1Cl)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(=O)C)C)[H])[H])=O