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3-METHOXY-17-ALPHA-[3'-(3'',5''-DICHLORO-2'',4'',6''-TRIMETHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
SpectraBase Compound ID E0DkSdZla72
InChI InChI=1S/C31H33Cl2NO5/c1-31-13-12-19-18-9-7-17(35-2)14-16(18)6-8-20(19)21(31)10-11-22(31)24-15-23(34-39-24)25-28(36-3)26(32)30(38-5)27(33)29(25)37-4/h7,9,11,14-15,19-21H,6,8,10,12-13H2,1-5H3/t19-,20-,21+,31+/m1/s1
InChIKey AUJMTRTVARVLFI-NSLMUOPJSA-N
Mol Weight 570.5 g/mol
Molecular Formula C31H33Cl2NO5
Exact Mass 569.173579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9d3ab7KSNsT
Name 3-METHOXY-17-ALPHA-[3'-(3'',5''-DICHLORO-2'',4'',6''-TRIMETHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33Cl2NO5
InChI InChI=1S/C31H33Cl2NO5/c1-31-13-12-19-18-9-7-17(35-2)14-16(18)6-8-20(19)21(31)10-11-22(31)24-15-23(34-39-24)25-28(36-3)26(32)30(38-5)27(33)29(25)37-4/h7,9,11,14-15,19-21H,6,8,10,12-13H2,1-5H3/t19-,20-,21+,31+/m1/s1
InChIKey AUJMTRTVARVLFI-NSLMUOPJSA-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 570.513 g/mol
Sample ID 70656
Solvent CDCl3