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3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-2'-O-METHYL-4-N-(N-METHYLPYRROLIDIN-2-YLIDENE)-5-METHYLCYTIDINE
SpectraBase Compound ID KeuC9aJl1zV
InChI InChI=1S/2C40H46N5O7P/c2*1-28-25-45(39(46)43-37(28)42-35-17-11-23-44(35)2)38-36(49-4)33(27-53(47)51-24-12-22-41)34(52-38)26-50-40(29-13-7-5-8-14-29,30-15-9-6-10-16-30)31-18-20-32(48-3)21-19-31/h2*5-10,13-16,18-21,25,33-34,36,38,53H,11-12,17,23-24,26-27H2,1-4H3/b2*42-35+/t2*33-,34-,36-,38-/m00/s1
InChIKey CZEUJWKCODJVMU-ZXXKHNLZSA-N
Mol Weight 1479.6 g/mol
Molecular Formula C80H92N10O14P2
Exact Mass 1478.626972 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E61TZnFN9VQ
Name 3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-2'-O-METHYL-4-N-(N-METHYLPYRROLIDIN-2-YLIDENE)-5-METHYLCYTIDINE
Compound Number 56
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H90N10O14P2
InChI InChI=1S/2C40H46N5O7P/c2*1-28-25-45(39(46)43-37(28)42-35-17-11-23-44(35)2)38-36(49-4)33(27-53(47)51-24-12-22-41)34(52-38)26-50-40(29-13-7-5-8-14-29,30-15-9-6-10-16-30)31-18-20-32(48-3)21-19-31/h2*5-10,13-16,18-21,25,33-34,36,38,53H,11-12,17,23-24,26-27H2,1-4H3/b2*42-35+/t2*33-,34-,36-,38-/m00/s1
InChIKey CZEUJWKCODJVMU-ZXXKHNLZSA-N
Literature Reference Author H.AN,T.WANG,M.A.MAIER,M.MANOHARAN,B.S.ROSS,P.D.COOK
Literature Reference Citation J.ORG.CHEM.,66,2789(2001)
Literature Reference DOI 10.1021/jo001699u
Solvent CDCl3
Source File Reference UWLU26701