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O-(6-N-BENZOYL-2',3'-O-DIBENZOYLADENOSINE-5'-O-YL)-N-(O-BENZYL-N-BENZYLOXYCARBONYL-D-ASPARAGINYL)-O-BENZYLOXYPHOSPHORAMIDATE
SpectraBase Compound ID 3zefC0Glnt5
InChI InChI=1S/C57H50N7O14P/c65-46(31-44(56(69)72-32-38-19-7-1-8-20-38)61-57(70)73-33-39-21-9-2-10-22-39)63-79(71,74-34-40-23-11-3-12-24-40)75-35-45-48(77-54(67)42-27-15-5-16-28-42)49(78-55(68)43-29-17-6-18-30-43)53(76-45)64-37-60-47-50(58-36-59-51(47)64)62-52(66)41-25-13-4-14-26-41/h1-30,36-37,44-45,48-49,53H,31-35H2,(H,61,70)(H,63,65,71)(H,58,59,62,66)/t44-,45-,48-,49-,53-,79?/m1/s1
InChIKey YNEMXVZUODCGMY-NXZOEGIJSA-N
Mol Weight 1088.0 g/mol
Molecular Formula C57H50N7O14P
Exact Mass 1087.315336 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34osM0SP39T
Name O-(6-N-BENZOYL-2',3'-O-DIBENZOYLADENOSINE-5'-O-YL)-N-(O-BENZYL-N-BENZYLOXYCARBONYL-D-ASPARAGINYL)-O-BENZYLOXYPHOSPHORAMIDATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H50N7O14P
InChI InChI=1S/C57H50N7O14P/c65-46(31-44(56(69)72-32-38-19-7-1-8-20-38)61-57(70)73-33-39-21-9-2-10-22-39)63-79(71,74-34-40-23-11-3-12-24-40)75-35-45-48(77-54(67)42-27-15-5-16-28-42)49(78-55(68)43-29-17-6-18-30-43)53(76-45)64-37-60-47-50(58-36-59-51(47)64)62-52(66)41-25-13-4-14-26-41/h1-30,36-37,44-45,48-49,53H,31-35H2,(H,61,70)(H,63,65,71)(H,58,59,62,66)/t44-,45-,48-,49-,53-,79?/m1/s1
InChIKey YNEMXVZUODCGMY-NXZOEGIJSA-N
Literature Reference Author Y.DING,J.WANG,S.M.SCHUSTER,N.G.J.RICHARDS
Literature Reference Citation J.ORG.CHEM.,67,4372(2002)
Literature Reference DOI 10.1021/jo025510l
Solvent CDCl3
Source File Reference UWVN23599