| SpectraBase Compound ID | 1ESXEJfOoFG |
|---|---|
| InChI | InChI=1S/C54H65N6O13P/c1-35-31-58(51(64)56-49(35)62)47-29-43(70-37(3)61)46(72-47)34-69-74(67,60(42-27-17-8-18-28-42)53(66)55-41-25-15-7-16-26-41)73-44-30-48(59-32-36(2)50(63)57-52(59)65)71-45(44)33-68-54(38-19-9-4-10-20-38,39-21-11-5-12-22-39)40-23-13-6-14-24-40/h4-6,9-14,19-24,31-32,41-48H,7-8,15-18,25-30,33-34H2,1-3H3,(H,55,66)(H,56,62,64)(H,57,63,65)/t43-,44-,45+,46+,47+,48+,74?/m0/s1 |
| InChIKey | HCISJBJOCDECTR-OVDMDYMKSA-N |
| Mol Weight | 1037.1 g/mol |
| Molecular Formula | C54H65N6O13P |
| Exact Mass | 1036.434723 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qCJfonCYQd |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-O-TRITYLDEOXYTHYMIDINE-3'-N,N'-DICYCLOHEXYLUREIDOAMIDOPHOSPHORYL)DEOXYTHYMIDINE (DIASTEREOMER 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 | C54H65N6O13P |
| InChI | InChI=1S/C54H65N6O13P/c1-35-31-58(51(64)56-49(35)62)47-29-43(70-37(3)61)46(72-47)34-69-74(67,60(42-27-17-8-18-28-42)53(66)55-41-25-15-7-16-26-41)73-44-30-48(59-32-36(2)50(63)57-52(59)65)71-45(44)33-68-54(38-19-9-4-10-20-38,39-21-11-5-12-22-39)40-23-13-6-14-24-40/h4-6,9-14,19-24,31-32,41-48H,7-8,15-18,25-30,33-34H2,1-3H3,(H,55,66)(H,56,62,64)(H,57,63,65)/t43-,44-,45+,46+,47+,48+,74?/m0/s1 |
| InChIKey | HCISJBJOCDECTR-OVDMDYMKSA-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 |