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2,6-DIOXO-9-[N-(TERT.-BUTYLOXYCARBONYL)-(2'S,3'S)-2',3'-DIBENZOYLOXY-(1'R)-PYRROLIDINYL]-5,8-DIAZA-7,9-DICARBAPURINE
SpectraBase Compound ID BBooLLoIeh7
InChI InChI=1S/C28H27N5O8/c1-28(2,3)41-27(38)32-14-18(39-23(34)16-10-6-4-7-11-16)21(40-24(35)17-12-8-5-9-13-17)20(32)19-22-30-25(36)31-26(37)33(22)15-29-19/h4-13,15,18,20-21H,14H2,1-3H3,(H2,30,31,36,37)/t18-,20-,21+/m1/s1
InChIKey DQFOBCANEDYWRT-NRSPTQNISA-N
Mol Weight 561.55 g/mol
Molecular Formula C28H27N5O8
Exact Mass 561.185963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4M8AQaQYwHc
Name 2,6-DIOXO-9-[N-(TERT.-BUTYLOXYCARBONYL)-(2'S,3'S)-2',3'-DIBENZOYLOXY-(1'R)-PYRROLIDINYL]-5,8-DIAZA-7,9-DICARBAPURINE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27N5O8
InChI InChI=1S/C28H27N5O8/c1-28(2,3)41-27(38)32-14-18(39-23(34)16-10-6-4-7-11-16)21(40-24(35)17-12-8-5-9-13-17)20(32)19-22-30-25(36)31-26(37)33(22)15-29-19/h4-13,15,18,20-21H,14H2,1-3H3,(H2,30,31,36,37)/t18-,20-,21+/m1/s1
InChIKey DQFOBCANEDYWRT-NRSPTQNISA-N
Literature Reference Author B.HAN,B.JAUN,R.KRISHNAMURTHY,A.ESCHENMOSER
Literature Reference Citation ORG.LETTERS,6,3691(2004)
Literature Reference DOI 10.1021/ol048649m
Molecular Weight 561.551 g/mol
Sample ID 50904
Solvent DMSO-D6