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2',3',5'-TRI-O-(4-TOLUOYL)-N-(2)-ACETYL-O-(6)-DIPHENYLCARBAMOYLGUANOSINE-2',3',4',5',5''-[(2)-H-(5)]
SpectraBase Compound ID ApYMBrTcDsl
InChI InChI=1S/C49H42N6O10/c1-29-15-21-33(22-16-29)45(57)61-27-38-40(63-46(58)34-23-17-30(2)18-24-34)41(64-47(59)35-25-19-31(3)20-26-35)44(62-38)54-28-50-39-42(54)52-48(51-32(4)56)53-43(39)65-49(60)55(36-11-7-5-8-12-36)37-13-9-6-10-14-37/h5-26,28,38,40-41,44H,27H2,1-4H3,(H,51,52,53,56)/t38-,40-,41-,44-/m0/s1/i27D2,38D,40D,41D
InChIKey GKHJPQNUPKNPGH-BTMIZSFTSA-N
Mol Weight 879.9 g/mol
Molecular Formula C49H372H5N6O10
Exact Mass 879.327625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bX9D7i6oso
Name 2',3',5'-TRI-O-(4-TOLUOYL)-N-(2)-ACETYL-O-(6)-DIPHENYLCARBAMOYLGUANOSINE-2',3',4',5',5''-[(2)-H-(5)]
Compound Number 20D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H372H5N6O10
InChI InChI=1S/C49H42N6O10/c1-29-15-21-33(22-16-29)45(57)61-27-38-40(63-46(58)34-23-17-30(2)18-24-34)41(64-47(59)35-25-19-31(3)20-26-35)44(62-38)54-28-50-39-42(54)52-48(51-32(4)56)53-43(39)65-49(60)55(36-11-7-5-8-12-36)37-13-9-6-10-14-37/h5-26,28,38,40-41,44H,27H2,1-4H3,(H,51,52,53,56)/t38-,40-,41-,44-/m0/s1/i27D2,38D,40D,41D
InChIKey GKHJPQNUPKNPGH-BTMIZSFTSA-N
Literature Reference Author A.FOELDESI,A.TRIFONOVA,Z.DINYA,J.CHATTOPADHYAYA
Literature Reference Citation J.ORG.CHEM.,66,6560(2001)
Literature Reference DOI 10.1021/jo010097n
Molecular Weight 879.937 g/mol
Solvent CDCl3
Source File Reference UWVN24824