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4-[[(1S,3S,6R,8R,9R)-8-(6-aminopurin-9-yl)-9-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-3-yl]oxymethyl]coumarin
SpectraBase Compound ID HRYqjsYvZPi
InChI InChI=1S/C20H18N5O8P/c21-18-15-19(23-8-22-18)25(9-24-15)20-16(27)17-13(32-20)7-30-34(28,33-17)29-6-10-5-14(26)31-12-4-2-1-3-11(10)12/h1-5,8-9,13,16-17,20,27H,6-7H2,(H2,21,22,23)/t13-,16-,17-,20-,34+/m1/s1
InChIKey DFZILPQHSXNRKO-YWAOMXHFSA-N
Mol Weight 487.36 g/mol
Molecular Formula C20H18N5O8P
Exact Mass 487.0893 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaqGDwn5iXb
Name 4-[[(1S,3S,6R,8R,9R)-8-(6-aminopurin-9-yl)-9-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-3-yl]oxymethyl]coumarin
Compound Number 1-AXIAL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N5O8P
InChI InChI=1S/C20H18N5O8P/c21-18-15-19(23-8-22-18)25(9-24-15)20-16(27)17-13(32-20)7-30-34(28,33-17)29-6-10-5-14(26)31-12-4-2-1-3-11(10)12/h1-5,8-9,13,16-17,20,27H,6-7H2,(H2,21,22,23)/t13-,16-,17-,20-,34+/m1/s1
InChIKey DFZILPQHSXNRKO-YWAOMXHFSA-N
Literature Reference Author T.ECKARDT,V.HAGEN,B.SCHADE,R.SCHMIDT,C.SCHWEITZER,J.BENDIG
Literature Reference Citation J.ORG.CHEM.,67,703(2002)
Literature Reference DOI 10.1021/jo010692p
Solvent DMSO-D6
Source File Reference UWMS25005