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2-[[(17-BETA)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-3-YL]-OXY]-ESTRA-4,2'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]

Compound with spectra: 1 NMR

2-[[(17-BETA)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-3-YL]-OXY]-ESTRA-4,2'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]
SpectraBase Compound ID 5OrDjs6TDjd
InChI InChI=1S/C54H68O6/c1-52-21-18-32-31-9-6-30(24-28(31)4-7-35(32)42(52)12-15-47(52)56)60-46-27-40-34-20-23-54(3)44(14-17-49(54)58)37(34)10-11-38(40)50(51(46)59)41-26-39-29(25-45(41)55)5-8-36-33(39)19-22-53(2)43(36)13-16-48(53)57/h6,9,24-27,32-37,42-44,47-49,55-59H,4-5,7-8,10-23H2,1-3H3/t32-,33+,34-,35-,36-,37+,42+,43+,44-,47+,48+,49-,52+,53+,54-/m0/s1
InChIKey KDMQMYHYPCVYPG-TUYRFRETSA-N
Mol Weight 813.1 g/mol
Molecular Formula C54H68O6
Exact Mass 812.50159 g/mol
Enantiomer InChIKey KDMQMYHYPCVYPG-AKLXKRICSA-N

View Spectrum of 2-[[(17-BETA)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-3-YL]-OXY]-ESTRA-4,2'-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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