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3-METHOXY-17-ALPHA-(3'-PHENYL-ISOXAZOL-5'-YL)-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
SpectraBase Compound ID 8qyyM7kCupD
InChI InChI=1S/C28H31NO3/c1-27-14-12-22-21-11-9-20(31-2)16-19(21)8-10-23(22)24(27)13-15-28(27,30)26-17-25(29-32-26)18-6-4-3-5-7-18/h3-7,9,11,16-17,22-24,30H,8,10,12-15H2,1-2H3/t22-,23-,24+,27+,28-/m1/s1
InChIKey YKFOIPULDULVRG-IOWGZZRXSA-N
Mol Weight 429.56 g/mol
Molecular Formula C28H31NO3
Exact Mass 429.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaAUGqGxnUa
Name 3-METHOXY-17-ALPHA-(3'-PHENYL-ISOXAZOL-5'-YL)-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31NO3
InChI InChI=1S/C28H31NO3/c1-27-14-12-22-21-11-9-20(31-2)16-19(21)8-10-23(22)24(27)13-15-28(27,30)26-17-25(29-32-26)18-6-4-3-5-7-18/h3-7,9,11,16-17,22-24,30H,8,10,12-15H2,1-2H3/t22-,23-,24+,27+,28-/m1/s1
InChIKey YKFOIPULDULVRG-IOWGZZRXSA-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 429.559 g/mol
Sample ID 70639
Solvent CDCl3