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16-(4-Fluorobenzylidene)-3-methoxyestra-1,3,5(10)-trien-17-ol

View entire compound with spectra: 2 NMR

16-(4-Fluorobenzylidene)-3-methoxyestra-1,3,5(10)-trien-17-ol
SpectraBase Compound ID F63hJvcpy9c
InChI InChI=1S/C26H29FO2/c1-26-12-11-22-21-10-8-20(29-2)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-6-19(27)7-4-16/h3-4,6-8,10,13-14,22-25,28H,5,9,11-12,15H2,1-2H3/b18-13+
InChIKey VTBAPUUHNSNVFF-QGOAFFKASA-N
Mol Weight 392.51 g/mol
Molecular Formula C26H29FO2
Exact Mass 392.215158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5BCPTmDdAN
Name 16-(4-Fluorobenzylidene)-3-methoxyestra-1,3,5(10)-trien-17-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.215158335 u
Formula C26H29FO2
InChI InChI=1S/C26H29FO2/c1-26-12-11-22-21-10-8-20(29-2)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-6-19(27)7-4-16/h3-4,6-8,10,13-14,22-25,28H,5,9,11-12,15H2,1-2H3/b18-13+
InChIKey VTBAPUUHNSNVFF-QGOAFFKASA-N
Molecular Weight 392.514 g/mol
SMILES OC1\C(=C\C2=CC=C(C=C2)F)CC2C1(CCC1C3=C(C=C(C=C3)OC)CCC21)C