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2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHORAMIDATE]
SpectraBase Compound ID 3VvAeERjuJM
InChI InChI=1S/2C37H32N7O10P/c2*38-18-10-20-50-55(48,51-21-11-19-39)43-32-29-33(41-23-40-32)44(24-42-29)34-31(54-37(47)27-16-8-3-9-17-27)30(53-36(46)26-14-6-2-7-15-26)28(52-34)22-49-35(45)25-12-4-1-5-13-25/h2*1-9,12-17,23-24,28,30-31,34H,10-11,20-22H2,(H,40,41,43,48)/t2*28-,30-,31-,34-/m00/s1
InChIKey LFPJNXCNPJJLBF-MWPRTVHSSA-N
Mol Weight 1531.4 g/mol
Molecular Formula C74H64N14O20P2
Exact Mass 1530.389654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81bXpy708iW
Name 2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHORAMIDATE]
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H64N14O20P2
InChI InChI=1S/2C37H32N7O10P/c2*38-18-10-20-50-55(48,51-21-11-19-39)43-32-29-33(41-23-40-32)44(24-42-29)34-31(54-37(47)27-16-8-3-9-17-27)30(53-36(46)26-14-6-2-7-15-26)28(52-34)22-49-35(45)25-12-4-1-5-13-25/h2*1-9,12-17,23-24,28,30-31,34H,10-11,20-22H2,(H,40,41,43,48)/t2*28-,30-,31-,34-/m00/s1
InChIKey LFPJNXCNPJJLBF-MWPRTVHSSA-N
Literature Reference Author T.WADA,T.MORIGUCHI,M.SEKINE
Literature Reference Citation J.AM.CHEM.SOC.,116,9901(1994)
Literature Reference DOI 10.1021/ja00101a011
Molecular Weight 1531.351 g/mol
Solvent CDCl3