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5-[2-(PIVALOYLOXYMETHOXYCARBONYL)-ETHYL]-CYCLOSAL-D4T-MONOPHOSPHATE
SpectraBase Compound ID Lp9BnFAGFw
InChI InChI=1S/2C26H31N2O11P/c2*1-16-12-28(25(32)27-23(16)30)21-9-7-19(38-21)14-37-40(33)36-13-18-11-17(5-8-20(18)39-40)6-10-22(29)34-15-35-24(31)26(2,3)4/h2*5,7-9,11-12,19,21H,6,10,13-15H2,1-4H3,(H,27,30,32)/t2*19-,21+,40?/m11/s1
InChIKey LYLIWNHMOBWBID-ZIRUUGFBSA-N
Mol Weight 1157.02 g/mol
Molecular Formula C52H62N4O22P2
Exact Mass 1156.333094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7y62pBRPY4
Name 5-[2-(PIVALOYLOXYMETHOXYCARBONYL)-ETHYL]-CYCLOSAL-D4T-MONOPHOSPHATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H62N4O22P2
InChI InChI=1S/2C26H31N2O11P/c2*1-16-12-28(25(32)27-23(16)30)21-9-7-19(38-21)14-37-40(33)36-13-18-11-17(5-8-20(18)39-40)6-10-22(29)34-15-35-24(31)26(2,3)4/h2*5,7-9,11-12,19,21H,6,10,13-15H2,1-4H3,(H,27,30,32)/t2*19-,21+,40?/m11/s1
InChIKey LYLIWNHMOBWBID-ZIRUUGFBSA-N
Literature Reference Author C.MEIER,C.DUCHO,H.JESSEN,D.VUKADINOVIC-TENTER,J.BALZARINI
Literature Reference Citation EUR.J.ORG.CHEM.,197(2006)
Molecular Weight 1157.025 g/mol
Sample ID 42809
Solvent DMSO-D6