| SpectraBase Compound ID | Nc8bQqna5Q |
|---|---|
| InChI | InChI=1S/C42H50N4O18P2/c1-20-10-22(3)35(23(4)11-20)39(50)63-65(54,55)57-18-32-30(15-34(61-32)46-17-27(8)38(49)44-42(46)53)62-66(56,64-40(51)36-24(5)12-21(2)13-25(36)6)58-19-31-29(59-28(9)47)14-33(60-31)45-16-26(7)37(48)43-41(45)52/h10-13,16-17,29-34H,14-15,18-19H2,1-9H3,(H,54,55)(H,43,48,52)(H,44,49,53)/t29-,30-,31+,32+,33+,34+,66?/m0/s1 |
| InChIKey | YLPXCNGMBWESLO-HLMXVRICSA-N |
| Mol Weight | 960.8 g/mol |
| Molecular Formula | C42H50N4O18P2 |
| Exact Mass | 960.259535 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vifXncy0HF |
|---|---|
| Name | 5'-(5'-2,3,6-TRIMETHYLBENZOYLOXYPHOSPHORYLDEOXYTHYMIDINE-3'-2,4,6-TRIMETHYLBENZOYLOXYPHOSPHORYL)-3'-O-ACETYLDEOXYTHYMIDINE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H50N4O18P2 |
| InChI | InChI=1S/C42H50N4O18P2/c1-20-10-22(3)35(23(4)11-20)39(50)63-65(54,55)57-18-32-30(15-34(61-32)46-17-27(8)38(49)44-42(46)53)62-66(56,64-40(51)36-24(5)12-21(2)13-25(36)6)58-19-31-29(59-28(9)47)14-33(60-31)45-16-26(7)37(48)43-41(45)52/h10-13,16-17,29-34H,14-15,18-19H2,1-9H3,(H,54,55)(H,43,48,52)(H,44,49,53)/t29-,30-,31+,32+,33+,34+,66?/m0/s1 |
| InChIKey | YLPXCNGMBWESLO-HLMXVRICSA-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 | C5H5N pyridine |