| SpectraBase Compound ID | Lk1ji94gMTG |
|---|---|
| InChI | InChI=1S/C30H36N6O15P2/c1-18-14-35(29(40)32-27(18)38)25-12-21(48-20(3)37)23(49-25)17-47-53(44,45-11-7-8-31)51-22-13-26(36-15-19(2)28(39)33-30(36)41)50-24(22)16-46-52(42,43)34-9-5-4-6-10-34/h4-6,9-10,14-15,21-26H,7,11-13,16-17H2,1-3H3,(H2-,32,33,38,39,40,41,42,43)/t21-,22-,23+,24+,25+,26+,53?/m0/s1 |
| InChIKey | VDNGWPRXRWUKKD-UTZJGZBDSA-N |
| Mol Weight | 782.6 g/mol |
| Molecular Formula | C30H36N6O15P2 |
| Exact Mass | 782.171388 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3perLK73WRu |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-PYRIDINOPHOSPHORYLDEOXYTHYMID-3'-YLOXY(CYANOETHYL)PHOSPHORYL)DEOXYTHYMIDINE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H36N6O15P2 |
| InChI | InChI=1S/C30H36N6O15P2/c1-18-14-35(29(40)32-27(18)38)25-12-21(48-20(3)37)23(49-25)17-47-53(44,45-11-7-8-31)51-22-13-26(36-15-19(2)28(39)33-30(36)41)50-24(22)16-46-52(42,43)34-9-5-4-6-10-34/h4-6,9-10,14-15,21-26H,7,11-13,16-17H2,1-3H3,(H2-,32,33,38,39,40,41,42,43)/t21-,22-,23+,24+,25+,26+,53?/m0/s1 |
| InChIKey | VDNGWPRXRWUKKD-UTZJGZBDSA-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 |