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3-METHOXY-17-ALPHA-[3'-(3'',4''-DIMETHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
SpectraBase Compound ID VrPglqYVKG
InChI InChI=1S/C30H35NO5/c1-29-13-11-22-21-9-7-20(33-2)15-18(21)5-8-23(22)24(29)12-14-30(29,32)28-17-25(31-36-28)19-6-10-26(34-3)27(16-19)35-4/h6-7,9-10,15-17,22-24,32H,5,8,11-14H2,1-4H3/t22-,23-,24+,29+,30-/m1/s1
InChIKey BGMOERJYLWLFNH-USLFWMELSA-N
Mol Weight 489.6 g/mol
Molecular Formula C30H35NO5
Exact Mass 489.251523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADdB8PjqDiI
Name 3-METHOXY-17-ALPHA-[3'-(3'',4''-DIMETHOXY)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H35NO5
InChI InChI=1S/C30H35NO5/c1-29-13-11-22-21-9-7-20(33-2)15-18(21)5-8-23(22)24(29)12-14-30(29,32)28-17-25(31-36-28)19-6-10-26(34-3)27(16-19)35-4/h6-7,9-10,15-17,22-24,32H,5,8,11-14H2,1-4H3/t22-,23-,24+,29+,30-/m1/s1
InChIKey BGMOERJYLWLFNH-USLFWMELSA-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 489.612 g/mol
Sample ID 70644
Solvent CDCl3