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Trans-dehydroandrosterone, trifluoroacetate

View entire compound with spectra: 1 NMR

Trans-dehydroandrosterone, trifluoroacetate
SpectraBase Compound ID DaSDieStbYn
InChI InChI=1S/C21H27F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3
InChIKey DDDJCSCTQYHRFY-UHFFFAOYSA-N
Mol Weight 384.44 g/mol
Molecular Formula C21H27F3O3
Exact Mass 384.191229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 208258Bi1K5
Name Trans-dehydroandrosterone, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.191229215 u
Formula C21H27F3O3
InChI InChI=1S/C21H27F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3
InChIKey DDDJCSCTQYHRFY-UHFFFAOYSA-N
Molecular Weight 384.439 g/mol
SMILES C12(C(=CCC3C2CCC2(C(=O)CCC32)C)CC(CC1)OC(C(F)(F)F)=O)C