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#17B;METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,5-DIDEOXY-4-O-[N-ACETYL-2',3'-O-(1-METHYLETHYLIDENE)-CYTIDINYL]-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TAL
SpectraBase Compound ID GBO5NhYR0qW
InChI InChI=1S/C32H39F3N4O16/c1-13(40)36-21-8-9-39(30(46)37-21)27-26-24(54-31(5,6)55-26)20(53-27)12-49-17-10-18(28(44)47-7)52-25(22(17)38-29(45)32(33,34)35)23(51-16(4)43)19(50-15(3)42)11-48-14(2)41/h8-10,17,19-20,22-27H,11-12H2,1-7H3,(H,38,45)(H,36,37,40,46)/t17-,19+,20+,22-,23-,24+,25-,26+,27+/m1/s1
InChIKey YMXRFOOROVPSOP-YARLCMKGSA-N
Mol Weight 792.7 g/mol
Molecular Formula C32H39F3N4O16
Exact Mass 792.231316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgrYz2hk2LW
Name #17B;METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,5-DIDEOXY-4-O-[N-ACETYL-2',3'-O-(1-METHYLETHYLIDENE)-CYTIDINYL]-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TAL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H39F3N4O16
InChI InChI=1S/C32H39F3N4O16/c1-13(40)36-21-8-9-39(30(46)37-21)27-26-24(54-31(5,6)55-26)20(53-27)12-49-17-10-18(28(44)47-7)52-25(22(17)38-29(45)32(33,34)35)23(51-16(4)43)19(50-15(3)42)11-48-14(2)41/h8-10,17,19-20,22-27H,11-12H2,1-7H3,(H,38,45)(H,36,37,40,46)/t17-,19+,20+,22-,23-,24+,25-,26+,27+/m1/s1
InChIKey YMXRFOOROVPSOP-YARLCMKGSA-N
Literature Reference Author P.ALLEVI,P.ROTA,I.S.AGNOLIN,A.GREGORIO,M.ANASTASIA
Literature Reference Citation EUR.J.ORG.CHEM.,2013,4065(2013)
Literature Reference DOI 10.1002/ejoc.201300154
Molecular Weight 792.674 g/mol
Solvent CDCl3
Source File Reference UWBT18431