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5.beta.-Androst-1-en-17.beta.-ol-3-one, trifluoroacetate

View entire compound with spectra: 1 NMR

5.beta.-Androst-1-en-17.beta.-ol-3-one, trifluoroacetate
SpectraBase Compound ID 3S6oDVXOFXS
InChI InChI=1S/C21H27F3O3/c1-19-9-7-13(25)11-12(19)3-4-14-15-5-6-17(27-18(26)21(22,23)24)20(15,2)10-8-16(14)19/h7,9,12,14-17H,3-6,8,10-11H2,1-2H3
InChIKey GRNGPWDBBQBMJJ-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 4mctti4w1x8
Name 5.beta.-Androst-1-en-17.beta.-ol-3-one, 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(25)11-12(19)3-4-14-15-5-6-17(27-18(26)21(22,23)24)20(15,2)10-8-16(14)19/h7,9,12,14-17H,3-6,8,10-11H2,1-2H3
InChIKey GRNGPWDBBQBMJJ-UHFFFAOYSA-N
Molecular Weight 384.439 g/mol
SMILES CC12C3C(C4C(CC3)(C)C(OC(C(F)(F)F)=O)CC4)CCC2CC(C=C1)=O