| SpectraBase Compound ID | HQDAa6Y8TP9 |
|---|---|
| InChI | InChI=1S/C32H40N4O17P2/c1-15-7-16(2)27(17(3)8-15)30(40)53-55(45,46)48-14-24-22(10-26(51-24)36-12-19(5)29(39)34-32(36)42)52-54(43,44)47-13-23-21(49-20(6)37)9-25(50-23)35-11-18(4)28(38)33-31(35)41/h7-8,11-12,21-26H,9-10,13-14H2,1-6H3,(H,43,44)(H,45,46)(H,33,38,41)(H,34,39,42)/t21-,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | ITWUBXVYGPFDJU-XOGRSFEHSA-N |
| Mol Weight | 814.6 g/mol |
| Molecular Formula | C32H40N4O17P2 |
| Exact Mass | 814.18637 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFGu13rh7G0 |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-MESITYLCARBONYLOXYPHOSPHORYLDEOXYTHYMID-3-YLOXYPHOSPHORYL)DEOXYTHYMIDINE |
| Comments | , PY:H2O=5:1. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C32H40N4O17P2 |
| InChI | InChI=1S/C32H40N4O17P2/c1-15-7-16(2)27(17(3)8-15)30(40)53-55(45,46)48-14-24-22(10-26(51-24)36-12-19(5)29(39)34-32(36)42)52-54(43,44)47-13-23-21(49-20(6)37)9-25(50-23)35-11-18(4)28(38)33-31(35)41/h7-8,11-12,21-26H,9-10,13-14H2,1-6H3,(H,43,44)(H,45,46)(H,33,38,41)(H,34,39,42)/t21-,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | ITWUBXVYGPFDJU-XOGRSFEHSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | H2O/PYRIDINE |