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4-[[(1S,3R,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]-7-dimethylamino-coumarin

View entire compound with spectra: 1 NMR

4-[[(1S,3R,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]-7-dimethylamino-coumarin
SpectraBase Compound ID BTGeuJed9v7
InChI InChI=1S/C22H23N6O8P/c1-27(2)12-3-4-13-11(5-16(29)34-14(13)6-12)7-32-37(31)33-8-15-19(36-37)18(30)22(35-15)28-10-26-17-20(23)24-9-25-21(17)28/h3-6,9-10,15,18-19,22,30H,7-8H2,1-2H3,(H2,23,24,25)/t15-,18-,19-,22-,37-/m1/s1
InChIKey MAKJYLGFNWYENW-OHBMKKJTSA-N
Mol Weight 530.43 g/mol
Molecular Formula C22H23N6O8P
Exact Mass 530.131499 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFgUqpmW9ou
Name 4-[[(1S,3R,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]-7-dimethylamino-coumarin
Compound Number 5-EQUATORIAL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23N6O8P
InChI InChI=1S/C22H23N6O8P/c1-27(2)12-3-4-13-11(5-16(29)34-14(13)6-12)7-32-37(31)33-8-15-19(36-37)18(30)22(35-15)28-10-26-17-20(23)24-9-25-21(17)28/h3-6,9-10,15,18-19,22,30H,7-8H2,1-2H3,(H2,23,24,25)/t15-,18-,19-,22-,37-/m1/s1
InChIKey MAKJYLGFNWYENW-OHBMKKJTSA-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 UWMS25012