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DIETHYL-[2-[(2R,3S,4R,5R)-5-(6-METHOXY-2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONATE
SpectraBase Compound ID 8pX9MDdVtR6
InChI InChI=1S/C19H27N2O9P/c1-4-28-31(26,29-5-2)9-8-14-15(22)16(23)18(30-14)21-13-7-6-11(27-3)10-12(13)17(24)20-19(21)25/h6-7,10,14-16,18,22-23H,4-5,8-9H2,1-3H3,(H,20,24,25)/t14-,15-,16-,18-/m0/s1
InChIKey RCFZXYBVPUJJOR-OVWQWFNUSA-N
Mol Weight 458.4 g/mol
Molecular Formula C19H27N2O9P
Exact Mass 458.145417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IS57qEBYL2z
Name DIETHYL-[2-[(2R,3S,4R,5R)-5-(6-METHOXY-2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL]-ETHYL]-PHOSPHONATE
Compound Number 10E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27N2O9P
InChI InChI=1S/C19H27N2O9P/c1-4-28-31(26,29-5-2)9-8-14-15(22)16(23)18(30-14)21-13-7-6-11(27-3)10-12(13)17(24)20-19(21)25/h6-7,10,14-16,18,22-23H,4-5,8-9H2,1-3H3,(H,20,24,25)/t14-,15-,16-,18-/m0/s1
InChIKey RCFZXYBVPUJJOR-OVWQWFNUSA-N
Literature Reference Author L.SONG,M.D.P.RISSEEUW,I.KARALIC,M.O.BARRETT,K.A.BROWN,T.K.HA RDEN,S.V.CALENBERGH
Literature Reference Citation MOLECULES,19,4313(2014)
Literature Reference DOI 10.3390/molecules19044313
Molecular Weight 458.405 g/mol
Solvent CDCl3
Source File Reference UWBT14663