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3'-[[BIS-(BENZYLOXY)-PHOSPHINYL]-OXY]-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)

Compound with spectra: 2 NMR

3'-[[BIS-(BENZYLOXY)-PHOSPHINYL]-OXY]-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)
SpectraBase Compound ID ISlCYvXIXT2
InChI InChI=1S/C50H56N5O15P3/c1-50-24-23-39-38-20-18-37(25-35(38)15-19-40(39)41(50)21-22-43(50)56)68-72(59,60)70-71(57,58)64-29-42-45(69-73(61,65-27-32-9-5-3-6-10-32)66-28-33-11-7-4-8-12-33)46(63-26-34-13-16-36(62-2)17-14-34)49(67-42)55-31-54-44-47(51)52-30-53-48(44)55/h3-14,16-18,20,25,30-31,39-42,45-46,49H,15,19,21-24,26-29H2,1-2H3,(H,57,58)(H,59,60)(H2,51,52,53)/p-2/t39-,40-,41+,42+,45+,46+,49+,50+/m0/s1
InChIKey BRFSWYMLEDXPCT-FNDFMBCDSA-L
Mol Weight 1057.9 g/mol
Molecular Formula C50H54N5O15P3
Exact Mass 1057.282927 g/mol
Enantiomer InChIKey BRFSWYMLEDXPCT-PYUFKWHUSA-L

View Spectrum of 3'-[[BIS-(BENZYLOXY)-PHOSPHINYL]-OXY]-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD

View Spectrum of 3'-[[BIS-(BENZYLOXY)-PHOSPHINYL]-OXY]-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
Synthesis of a Bisubstrate Analogue Targeting Estrogen Sulfotransferase The Journal of Organic Chemistry 2002
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