John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Eiq1ulikJMA SpectraBase Spectrum ID=AsuQ5k1EkUn

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3-METHOXY-17-ALPHA-(3'-PHENYL-ISOXAZOL-5'-YL)-ESTRA-1,3,5(10),16-TETRAENE
SpectraBase Compound ID Eiq1ulikJMA
InChI InChI=1S/C28H29NO2/c1-28-15-14-22-21-11-9-20(30-2)16-19(21)8-10-23(22)24(28)12-13-25(28)27-17-26(29-31-27)18-6-4-3-5-7-18/h3-7,9,11,13,16-17,22-24H,8,10,12,14-15H2,1-2H3/t22-,23-,24+,28+/m1/s1
InChIKey NWSPAGBCWXZTPK-DFIMXKNXSA-N
Mol Weight 411.55 g/mol
Molecular Formula C28H29NO2
Exact Mass 411.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsuQ5k1EkUn
Name 3-METHOXY-17-ALPHA-(3'-PHENYL-ISOXAZOL-5'-YL)-ESTRA-1,3,5(10),16-TETRAENE
Compound Number 7A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29NO2
InChI InChI=1S/C28H29NO2/c1-28-15-14-22-21-11-9-20(30-2)16-19(21)8-10-23(22)24(28)12-13-25(28)27-17-26(29-31-27)18-6-4-3-5-7-18/h3-7,9,11,13,16-17,22-24H,8,10,12,14-15H2,1-2H3/t22-,23-,24+,28+/m1/s1
InChIKey NWSPAGBCWXZTPK-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 411.544 g/mol
Sample ID 70650
Solvent CDCl3
SpectraBase Batch ID 2L8hwwR5BTG