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3-METHOXY-17-ALPHA-[3'-(4''-NITRO)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
SpectraBase Compound ID 1UY0UC4R9h7
InChI InChI=1S/C28H28N2O4/c1-28-14-13-22-21-10-8-20(33-2)15-18(21)5-9-23(22)24(28)11-12-25(28)27-16-26(29-34-27)17-3-6-19(7-4-17)30(31)32/h3-4,6-8,10,12,15-16,22-24H,5,9,11,13-14H2,1-2H3/t22-,23-,24+,28+/m1/s1
InChIKey JIJQXINNGMNHBA-DFIMXKNXSA-N
Mol Weight 456.54 g/mol
Molecular Formula C28H28N2O4
Exact Mass 456.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ajdPaz4Bnn
Name 3-METHOXY-17-ALPHA-[3'-(4''-NITRO)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
Compound Number 7K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28N2O4
InChI InChI=1S/C28H28N2O4/c1-28-14-13-22-21-10-8-20(33-2)15-18(21)5-9-23(22)24(28)11-12-25(28)27-16-26(29-34-27)17-3-6-19(7-4-17)30(31)32/h3-4,6-8,10,12,15-16,22-24H,5,9,11,13-14H2,1-2H3/t22-,23-,24+,28+/m1/s1
InChIKey JIJQXINNGMNHBA-DFIMXKNXSA-N
Literature Reference Author D.KOVACS,Z.KADAR,G.MOTYAN,G.SCHNEIDER,J.WOELFLING,I.ZUPKO,E. FRANK
Literature Reference Citation STEROIDS,77,1075(2012)
Literature Reference DOI 10.1016/j.steroids.2012.05.003
Molecular Weight 456.541 g/mol
Sample ID 70660
Solvent CDCl3