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3-METHOXY-17-ALPHA-[3'-(4''-METHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
SpectraBase Compound ID 57ma3r23KNm
InChI InChI=1S/C29H33NO4/c1-28-14-12-23-22-11-9-21(33-3)16-19(22)6-10-24(23)25(28)13-15-29(28,31)27-17-26(30-34-27)18-4-7-20(32-2)8-5-18/h4-5,7-9,11,16-17,23-25,31H,6,10,12-15H2,1-3H3/t23-,24-,25+,28+,29-/m1/s1
InChIKey BOSHAFPTIDVQSN-GVCCXQABSA-N
Mol Weight 459.6 g/mol
Molecular Formula C29H33NO4
Exact Mass 459.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QoIBq2EAvo
Name 3-METHOXY-17-ALPHA-[3'-(4''-METHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33NO4
InChI InChI=1S/C29H33NO4/c1-28-14-12-23-22-11-9-21(33-3)16-19(22)6-10-24(23)25(28)13-15-29(28,31)27-17-26(30-34-27)18-4-7-20(32-2)8-5-18/h4-5,7-9,11,16-17,23-25,31H,6,10,12-15H2,1-3H3/t23-,24-,25+,28+,29-/m1/s1
InChIKey BOSHAFPTIDVQSN-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 459.585 g/mol
Sample ID 70643
Solvent CDCl3