For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Trans-dehydroandrosterone, trifluoroacetate, o-methyloxime

View entire compound with spectra: 1 NMR

Trans-dehydroandrosterone, trifluoroacetate, o-methyloxime
SpectraBase Compound ID 3SiI4Hja5ZW
InChI InChI=1S/C22H30F3NO3/c1-20-10-8-14(29-19(27)22(23,24)25)12-13(20)4-5-15-16-6-7-18(26-28-3)21(16,2)11-9-17(15)20/h4,14-17H,5-12H2,1-3H3/b26-18+
InChIKey XZJYPEXTWQRENV-NLRVBDNBSA-N
Mol Weight 413.48 g/mol
Molecular Formula C22H30F3NO3
Exact Mass 413.217778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E7g6e2mb95L
Name Trans-dehydroandrosterone, trifluoroacetate, o-methyloxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.217778316 u
Formula C22H30F3NO3
InChI InChI=1S/C22H30F3NO3/c1-20-10-8-14(29-19(27)22(23,24)25)12-13(20)4-5-15-16-6-7-18(26-28-3)21(16,2)11-9-17(15)20/h4,14-17H,5-12H2,1-3H3/b26-18+
InChIKey XZJYPEXTWQRENV-NLRVBDNBSA-N
Molecular Weight 413.481 g/mol
SMILES C12(C(=CCC3C2CCC2(\C(=N\OC)CCC32)C)CC(CC1)OC(C(F)(F)F)=O)C