![1-[2',3'-DIDEOXY-2'-N-[(DIPHENYL)-(4-METHOXYPHENYL)-METHYL]-3'-N-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-THYMINE](/api/spectrum/4OvgTWYYSBK/structure.png?h=300&w=458 "1-[2',3'-DIDEOXY-2'-N-[(DIPHENYL)-(4-METHOXYPHENYL)-METHYL]-3'-N-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-THYMINE")
| SpectraBase Compound ID | 57CGKROI66a |
|---|---|
| InChI | InChI=1S/C31H29F3N4O5/c1-19-17-38(29(41)36-26(19)39)27-25(24(18-43-27)35-28(40)31(32,33)34)37-30(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-13-15-23(42-2)16-14-22/h3-17,24-25,27,37H,18H2,1-2H3,(H,35,40)(H,36,39,41)/t24-,25+,27+/m1/s1 |
| InChIKey | QGPAXHWPJYCFFO-OBDYRVMHSA-N |
| Mol Weight | 594.59 g/mol |
| Molecular Formula | C31H29F3N4O5 |
| Exact Mass | 594.209005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OvgTWYYSBK |
|---|---|
| Name | 1-[2',3'-DIDEOXY-2'-N-[(DIPHENYL)-(4-METHOXYPHENYL)-METHYL]-3'-N-(TRIFLUOROACETYL)-ALPHA-L-THREO-FURANOSYL]-THYMINE |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H29F3N4O5 |
| InChI | InChI=1S/C31H29F3N4O5/c1-19-17-38(29(41)36-26(19)39)27-25(24(18-43-27)35-28(40)31(32,33)34)37-30(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-13-15-23(42-2)16-14-22/h3-17,24-25,27,37H,18H2,1-2H3,(H,35,40)(H,36,39,41)/t24-,25+,27+/m1/s1 |
| InChIKey | QGPAXHWPJYCFFO-OBDYRVMHSA-N |
| Literature Reference Author | M.FERENCIC,G.REDDY,X.WU,S.GUNTHA,J.NANDY,R.KRISHNAMURTHY,A.E SCHENMOSER |
| Literature Reference Citation | CHEM.BIODIV.,1,939(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490083 |
| Molecular Weight | 594.590 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS21523 |