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#11;7-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYL)-METHYL-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-ISOBUTYRYLAMINO-7H-PYRAZOLO-[3,4-D]-[1,2,3]-TRIAZINE-3'-[(2-CYANOETHYL)-N,
SpectraBase Compound ID KotZ1SEBbHa
InChI InChI=1S/2C44H53N8O7P/c2*1-28(2)43(54)47-41-36-26-46-51(42(36)49-50-48-41)39-25-37(59-60(40(53)15-12-24-45)52(29(3)4)30(5)6)38(58-39)27-57-44(31-13-10-9-11-14-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h2*9-11,13-14,16-23,26,28-30,37-39H,12,15,25,27H2,1-8H3,(H,47,48,49,54)/t2*37-,38+,39+,60?/m11/s1
InChIKey IOUCXHHMJNJYMH-IUMFEWMRSA-N
Mol Weight 1673.9 g/mol
Molecular Formula C88H106N16O14P2
Exact Mass 1672.754966 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KkKBzx09Jce
Name #11;7-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYL)-METHYL-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-ISOBUTYRYLAMINO-7H-PYRAZOLO-[3,4-D]-[1,2,3]-TRIAZINE-3'-[(2-CYANOETHYL)-N,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H106N16O14P2
InChI InChI=1S/2C44H53N8O7P/c2*1-28(2)43(54)47-41-36-26-46-51(42(36)49-50-48-41)39-25-37(59-60(40(53)15-12-24-45)52(29(3)4)30(5)6)38(58-39)27-57-44(31-13-10-9-11-14-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h2*9-11,13-14,16-23,26,28-30,37-39H,12,15,25,27H2,1-8H3,(H,47,48,49,54)/t2*37-,38+,39+,60?/m11/s1
InChIKey IOUCXHHMJNJYMH-IUMFEWMRSA-N
Literature Reference Author F.SEELA,M.LINDNER,V.GLACON,W.LIN
Literature Reference Citation J.ORG.CHEM.,69,4695(2004)
Literature Reference DOI 10.1021/jo040150i
Solvent CDCl3
Source File Reference UWVN22180