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3-METHOXY-17-ALPHA-[3'-(3'',4''-DIMETHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
SpectraBase Compound ID CtdOBfGcD6S
InChI InChI=1S/C30H33NO4/c1-30-14-13-22-21-9-7-20(32-2)15-18(21)5-8-23(22)24(30)10-11-25(30)28-17-26(31-35-28)19-6-12-27(33-3)29(16-19)34-4/h6-7,9,11-12,15-17,22-24H,5,8,10,13-14H2,1-4H3/t22-,23-,24+,30+/m1/s1
InChIKey ILSKWWKDKHOFQD-UCTCLUAXSA-N
Mol Weight 471.6 g/mol
Molecular Formula C30H33NO4
Exact Mass 471.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGVTECgxEGX
Name 3-METHOXY-17-ALPHA-[3'-(3'',4''-DIMETHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H33NO4
InChI InChI=1S/C30H33NO4/c1-30-14-13-22-21-9-7-20(32-2)15-18(21)5-8-23(22)24(30)10-11-25(30)28-17-26(31-35-28)19-6-12-27(33-3)29(16-19)34-4/h6-7,9,11-12,15-17,22-24H,5,8,10,13-14H2,1-4H3/t22-,23-,24+,30+/m1/s1
InChIKey ILSKWWKDKHOFQD-UCTCLUAXSA-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 471.596 g/mol
Sample ID 70655
Solvent CDCl3