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3'-PHOSPHO-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)

Compound with spectra: 2 NMR

3'-PHOSPHO-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)
SpectraBase Compound ID 5SlWfZPjMAd
InChI InChI=1S/C28H36N5O14P3/c1-28-9-8-17-16-5-3-15(10-14(16)2-4-18(17)19(28)6-7-21(28)34)45-50(41,42)47-49(39,40)43-11-20-24(46-48(36,37)38)23(35)27(44-20)33-13-32-22-25(29)30-12-31-26(22)33/h3,5,10,12-13,17-20,23-24,27,35H,2,4,6-9,11H2,1H3,(H,39,40)(H,41,42)(H2,29,30,31)(H2,36,37,38)/p-3/t17-,18-,19+,20+,23+,24+,27+,28+/m0/s1
InChIKey KKVGMOPNYBBTJG-VCZFYODKSA-K
Mol Weight 756.5 g/mol
Molecular Formula C28H33N5O14P3
Exact Mass 756.123687 g/mol
Enantiomer InChIKey KKVGMOPNYBBTJG-QMYWJLAZSA-K

View Spectrum of 3'-PHOSPHO-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 D2O

View Spectrum of 3'-PHOSPHO-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 D2O
Title Journal or Book Year
Synthesis of a Bisubstrate Analogue Targeting Estrogen Sulfotransferase The Journal of Organic Chemistry 2002

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