| SpectraBase Compound ID | HvaPhebQhf3 |
|---|---|
| InChI | InChI=1S/C47H53N4O15P/c1-28-24-50(45(56)48-43(28)54)40-22-36(65-42(53)21-12-30(3)52)39(64-40)27-62-67(60-6)66-37-23-41(51-25-29(2)44(55)49-46(51)57)63-38(37)26-61-47(31-10-8-7-9-11-31,32-13-17-34(58-4)18-14-32)33-15-19-35(59-5)20-16-33/h7-11,13-20,24-25,36-41H,12,21-23,26-27H2,1-6H3,(H,48,54,56)(H,49,55,57)/t36-,37-,38+,39+,40+,41+,67?/m0/s1 |
| InChIKey | FGIOIFOIUXYIRF-OFCSEFKQSA-N |
| Mol Weight | 944.9 g/mol |
| Molecular Formula | C47H53N4O15P |
| Exact Mass | 944.324504 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6ACoB5zfuO |
|---|---|
| Name | 3'-O-LEVULINOYL-5'-O-(5'-DIMETHOXYTRITYLDEOXYTHYMIDIN-3'-YLOXY(METHOXY)PHOSPHINO)DEOXYTHYMIDINE (ISOMER MIXTURE) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C47H53N4O15P |
| InChI | InChI=1S/C47H53N4O15P/c1-28-24-50(45(56)48-43(28)54)40-22-36(65-42(53)21-12-30(3)52)39(64-40)27-62-67(60-6)66-37-23-41(51-25-29(2)44(55)49-46(51)57)63-38(37)26-61-47(31-10-8-7-9-11-31,32-13-17-34(58-4)18-14-32)33-15-19-35(59-5)20-16-33/h7-11,13-20,24-25,36-41H,12,21-23,26-27H2,1-6H3,(H,48,54,56)(H,49,55,57)/t36-,37-,38+,39+,40+,41+,67?/m0/s1 |
| InChIKey | FGIOIFOIUXYIRF-OFCSEFKQSA-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 | C3D6O acetone-d6 |