For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-METHOXY-17-ALPHA-[3'-(4''-CHLORO)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
SpectraBase Compound ID 9IStSG4AuZr
InChI InChI=1S/C28H28ClNO2/c1-28-14-13-22-21-10-8-20(31-2)15-18(21)5-9-23(22)24(28)11-12-25(28)27-16-26(30-32-27)17-3-6-19(29)7-4-17/h3-4,6-8,10,12,15-16,22-24H,5,9,11,13-14H2,1-2H3/t22-,23-,24+,28+/m1/s1
InChIKey CYYVGINFHZVVPQ-DFIMXKNXSA-N
Mol Weight 445.99 g/mol
Molecular Formula C28H28ClNO2
Exact Mass 445.180857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Iv44nCzLhgd
Name 3-METHOXY-17-ALPHA-[3'-(4''-CHLORO)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
Compound Number 7I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28ClNO2
InChI InChI=1S/C28H28ClNO2/c1-28-14-13-22-21-10-8-20(31-2)15-18(21)5-9-23(22)24(28)11-12-25(28)27-16-26(30-32-27)17-3-6-19(29)7-4-17/h3-4,6-8,10,12,15-16,22-24H,5,9,11,13-14H2,1-2H3/t22-,23-,24+,28+/m1/s1
InChIKey CYYVGINFHZVVPQ-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 445.989 g/mol
Sample ID 70658
Solvent CDCl3