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3-METHOXY-17-ALPHA-[3'-(3''-METHYL)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
SpectraBase Compound ID 2hflJ7GNdRm
InChI InChI=1S/C29H33NO3/c1-18-5-4-6-20(15-18)26-17-27(33-30-26)29(31)14-12-25-24-9-7-19-16-21(32-3)8-10-22(19)23(24)11-13-28(25,29)2/h4-6,8,10,15-17,23-25,31H,7,9,11-14H2,1-3H3/t23-,24-,25+,28+,29-/m1/s1
InChIKey KNBVSKYMDGTDKU-GVCCXQABSA-N
Mol Weight 443.6 g/mol
Molecular Formula C29H33NO3
Exact Mass 443.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0gFtqRoaP3
Name 3-METHOXY-17-ALPHA-[3'-(3''-METHYL)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33NO3
InChI InChI=1S/C29H33NO3/c1-18-5-4-6-20(15-18)26-17-27(33-30-26)29(31)14-12-25-24-9-7-19-16-21(32-3)8-10-22(19)23(24)11-13-28(25,29)2/h4-6,8,10,15-17,23-25,31H,7,9,11-14H2,1-3H3/t23-,24-,25+,28+,29-/m1/s1
InChIKey KNBVSKYMDGTDKU-GVCCXQABSA-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 443.586 g/mol
Sample ID 70641
Solvent CDCl3