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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]-6-methoxy-coumarin
SpectraBase Compound ID 2PQMbhxIuOT
InChI InChI=1S/C21H20N5O9P/c1-30-11-2-3-13-12(5-11)10(4-15(27)33-13)6-31-36(29)32-7-14-18(35-36)17(28)21(34-14)26-9-25-16-19(22)23-8-24-20(16)26/h2-5,8-9,14,17-18,21,28H,6-7H2,1H3,(H2,22,23,24)/t14-,17-,18-,21-,36+/m1/s1
InChIKey QUYVRKGPKPPWQC-GFGFNENVSA-N
Mol Weight 517.39 g/mol
Molecular Formula C21H20N5O9P
Exact Mass 517.099864 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CMnSQzglDu
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]-6-methoxy-coumarin
Compound Number 2-AXIAL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N5O9P
InChI InChI=1S/C21H20N5O9P/c1-30-11-2-3-13-12(5-11)10(4-15(27)33-13)6-31-36(29)32-7-14-18(35-36)17(28)21(34-14)26-9-25-16-19(22)23-8-24-20(16)26/h2-5,8-9,14,17-18,21,28H,6-7H2,1H3,(H2,22,23,24)/t14-,17-,18-,21-,36+/m1/s1
InChIKey QUYVRKGPKPPWQC-GFGFNENVSA-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 UWMS25007