| SpectraBase Compound ID | KSvjBW0EKnF |
|---|---|
| InChI | InChI=1S/C44H46N5O13P/c1-28-24-48(42(53)46-40(28)51)38-22-34(59-30(3)50)37(61-38)27-58-63(55,57-21-13-20-45)62-35-23-39(49-25-29(2)41(52)47-43(49)54)60-36(35)26-56-44(31-14-7-4-8-15-31,32-16-9-5-10-17-32)33-18-11-6-12-19-33/h4-12,14-19,24-25,34-39H,13,21-23,26-27H2,1-3H3,(H,46,51,53)(H,47,52,54)/t34-,35-,36+,37+,38+,39+,63?/m0/s1 |
| InChIKey | MXYXIUFMAGHROF-DFMHVPIKSA-N |
| Mol Weight | 883.8 g/mol |
| Molecular Formula | C44H46N5O13P |
| Exact Mass | 883.282974 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cv4PwQT6vs |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(CYANOETHYL)PHOSPHORYL)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 | C44H46N5O13P |
| InChI | InChI=1S/C44H46N5O13P/c1-28-24-48(42(53)46-40(28)51)38-22-34(59-30(3)50)37(61-38)27-58-63(55,57-21-13-20-45)62-35-23-39(49-25-29(2)41(52)47-43(49)54)60-36(35)26-56-44(31-14-7-4-8-15-31,32-16-9-5-10-17-32)33-18-11-6-12-19-33/h4-12,14-19,24-25,34-39H,13,21-23,26-27H2,1-3H3,(H,46,51,53)(H,47,52,54)/t34-,35-,36+,37+,38+,39+,63?/m0/s1 |
| InChIKey | MXYXIUFMAGHROF-DFMHVPIKSA-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 |