| SpectraBase Compound ID | HGUsSLqzywL |
|---|---|
| InChI | InChI=1S/C40H43N7O16P2.C6H15N/c1-57-27-12-8-24(9-13-27)37(49)41-33-16-18-46(39(51)43-33)35-20-29(48)31(61-35)22-60-65(55,56)63-30-21-36(62-32(30)23-59-64(53,54)45-26-6-4-3-5-7-26)47-19-17-34(44-40(47)52)42-38(50)25-10-14-28(58-2)15-11-25;1-4-7(5-2)6-3/h3-19,29-32,35-36,48H,20-23H2,1-2H3,(H,55,56)(H2,45,53,54)(H,41,43,49,51)(H,42,44,50,52);4-6H2,1-3H3/t29-,30-,31+,32+,35+,36+;/m0./s1 |
| InChIKey | LEHWHEXDBGUBGR-VSGJMNRUSA-N |
| Mol Weight | 1041.0 g/mol |
| Molecular Formula | C46H58N8O16P2 |
| Exact Mass | 1040.344602 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaVZQYkbbF4 |
|---|---|
| Name | 5'-(N-ANISOYL-5'-ANILIDOPHOSPHATOYLDEOXYCYTIDIN-3'-YLOXYPHOSPHORYL)-N-ANISOYLDEOXYCYTIDINE, TRIETHYLAMMONIUM SALT |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H58N8O16P2 |
| InChI | InChI=1S/C40H43N7O16P2.C6H15N/c1-57-27-12-8-24(9-13-27)37(49)41-33-16-18-46(39(51)43-33)35-20-29(48)31(61-35)22-60-65(55,56)63-30-21-36(62-32(30)23-59-64(53,54)45-26-6-4-3-5-7-26)47-19-17-34(44-40(47)52)42-38(50)25-10-14-28(58-2)15-11-25;1-4-7(5-2)6-3/h3-19,29-32,35-36,48H,20-23H2,1-2H3,(H,55,56)(H2,45,53,54)(H,41,43,49,51)(H,42,44,50,52);4-6H2,1-3H3/t29-,30-,31+,32+,35+,36+;/m0./s1 |
| InChIKey | LEHWHEXDBGUBGR-VSGJMNRUSA-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 |