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(RP)-5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(2-METHYLPHENYL)-N-[(S)-BENZYLLANYNYL]-PHOSPHORAMIDATE
SpectraBase Compound ID 7qnNDVhDFRZ
InChI InChI=1S/C27H30N3O8P/c1-18-9-7-8-12-23(18)38-39(34,29-20(3)26(32)35-16-21-10-5-4-6-11-21)36-17-22-13-14-24(37-22)30-15-19(2)25(31)28-27(30)33/h4-15,20,22,24H,16-17H2,1-3H3,(H,29,34)(H,28,31,33)/t20-,22-,24+,39?/m0/s1
InChIKey JUUIKJDJFKGKJU-SFUBOUTNSA-N
Mol Weight 555.52 g/mol
Molecular Formula C27H30N3O8P
Exact Mass 555.177052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SREp8id2S0
Name (SP)-5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(2-METHYLPHENYL)-N-[(S)-BENZYLLANYNYL]-PHOSPHORAMIDATE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N3O8P
InChI InChI=1S/C27H30N3O8P/c1-18-9-7-8-12-23(18)38-39(34,29-20(3)26(32)35-16-21-10-5-4-6-11-21)36-17-22-13-14-24(37-22)30-15-19(2)25(31)28-27(30)33/h4-15,20,22,24H,16-17H2,1-3H3,(H,29,34)(H,28,31,33)/t20-,22-,24+,39?/m0/s1
InChIKey JUUIKJDJFKGKJU-SFUBOUTNSA-N
Literature Reference Author C.A.ROMAN,P.WASSERTHAL,J.BALZARINI,C.MEIER
Literature Reference Citation EUR.J.ORG.CHEM.,2011,4899(2011)
Molecular Weight 555.524 g/mol
Solvent CDCl3
Source File Reference UWBT21257