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2,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]

Compound with spectra: 1 NMR

2,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]
SpectraBase Compound ID COFTifMpXec
InChI InChI=1S/C36H46O4/c1-35-15-13-21-20-7-10-30(37)34(25(20)6-5-24(21)29(35)9-12-32(35)39)27-18-26-19(17-31(27)38)3-4-23-22(26)14-16-36(2)28(23)8-11-33(36)40/h7,10,17-18,21-24,28-29,32-33,37-40H,3-6,8-9,11-16H2,1-2H3/t21-,22-,23+,24-,28-,29+,32+,33-,35+,36-/m1/s1
InChIKey ACFVXDXZLPLRGL-ROJNBWJPSA-N
Mol Weight 542.8 g/mol
Molecular Formula C36H46O4
Exact Mass 542.33961 g/mol
Enantiomer InChIKey ACFVXDXZLPLRGL-LUVOZKPZSA-N

View Spectrum of 2,4'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Oxidative Coupling of 17β-Estradiol:  Inventory of Oligomer Products and Configuration Assignment of Atropoisomeric C4-Linked Biphenyl-Type Dimers and Trimers The Journal of Organic Chemistry 2004
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