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3-Acetoxy-16-alpha-fluoro-3,5-androstadien-17-one

View entire compound with spectra: 2 NMR

3-Acetoxy-16-alpha-fluoro-3,5-androstadien-17-one
SpectraBase Compound ID 6wI35c5v80P
InChI InChI=1S/C21H27FO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h4,10,15-18H,5-9,11H2,1-3H3/t15?,16?,17?,18-,20?,21?/m1/s1
InChIKey NHLKDRTVZGZUON-KYWFWFCTSA-N
Mol Weight 346.44 g/mol
Molecular Formula C21H27FO3
Exact Mass 346.194423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhhR4nCR58F
Name 3-Acetoxy-16-alpha-fluoro-3,5-androstadien-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.194422889 u
Formula C21H27FO3
InChI InChI=1S/C21H27FO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h4,10,15-18H,5-9,11H2,1-3H3/t15?,16?,17?,18-,20?,21?/m1/s1
InChIKey NHLKDRTVZGZUON-KYWFWFCTSA-N
Molecular Weight 346.442 g/mol
SMILES [C@]1(F)(CC2C3CC=C4C=C(CCC4(C3CCC2(C)C1=O)C)OC(=O)C)[H]