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Androstan-4,6-diene-17.beta.-ol-3-one, trifluoroacetate

View entire compound with spectra: 1 NMR

Androstan-4,6-diene-17.beta.-ol-3-one, trifluoroacetate
SpectraBase Compound ID JWgbtlohs3T
InChI InChI=1S/C21H25F3O3/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/h3-4,11,14-17H,5-10H2,1-2H3
InChIKey CSJOJIASGCNTEQ-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H25F3O3
Exact Mass 382.175579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfXNjkMWQP8
Name Androstan-4,6-diene-17.beta.-ol-3-one, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.175579151 u
Formula C21H25F3O3
InChI InChI=1S/C21H25F3O3/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/h3-4,11,14-17H,5-10H2,1-2H3
InChIKey CSJOJIASGCNTEQ-UHFFFAOYSA-N
Molecular Weight 382.423 g/mol
SMILES CC12C3C(C4C(CC3)(C)C(OC(C(F)(F)F)=O)CC4)C=CC2=CC(CC1)=O