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

*Links on SpectraBase are not permalinks.

.beta.-Estradiol 17-propionate, trifluoroacetate

View entire compound with spectra: 1 NMR

.beta.-Estradiol 17-propionate, trifluoroacetate
SpectraBase Compound ID EdIslHaGTTU
InChI InChI=1S/C23H27F3O4/c1-3-20(27)30-19-9-8-18-17-6-4-13-12-14(29-21(28)23(24,25)26)5-7-15(13)16(17)10-11-22(18,19)2/h5,7,12,16-19H,3-4,6,8-11H2,1-2H3
InChIKey XWMGJJJKNFHVFH-UHFFFAOYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C23H27F3O4
Exact Mass 424.186144 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 KgOQec4a1eL
Name .beta.-Estradiol 17-propionate, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.186143834 u
Formula C23H27F3O4
InChI InChI=1S/C23H27F3O4/c1-3-20(27)30-19-9-8-18-17-6-4-13-12-14(29-21(28)23(24,25)26)5-7-15(13)16(17)10-11-22(18,19)2/h5,7,12,16-19H,3-4,6,8-11H2,1-2H3
InChIKey XWMGJJJKNFHVFH-UHFFFAOYSA-N
Molecular Weight 424.460 g/mol
SMILES C12=CC=C(C=C2CCC2C1CCC1(C2CCC1OC(=O)CC)C)OC(C(F)(F)F)=O