| SpectraBase Compound ID | 4HgqApBs5SR |
|---|---|
| InChI | InChI=1S/C49H51N4O13PS/c1-32-28-52(47(57)50-45(32)55)43-26-39(63-34(3)54)42(65-43)31-62-67(59,61-24-25-68-38-22-14-7-15-23-38)66-40-27-44(53-29-33(2)46(56)51-48(53)58)64-41(40)30-60-49(35-16-8-4-9-17-35,36-18-10-5-11-19-36)37-20-12-6-13-21-37/h4-23,28-29,39-44H,24-27,30-31H2,1-3H3,(H,50,55,57)(H,51,56,58)/t39-,40-,41+,42+,43+,44+,67?/m0/s1 |
| InChIKey | UFINHZRNILLMHC-JGCRESOUSA-N |
| Mol Weight | 967.0 g/mol |
| Molecular Formula | C49H51N4O13PS |
| Exact Mass | 966.291096 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUqUVGu3vYs |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(PHENYLTHIOETHYL)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 | C49H51N4O13PS |
| InChI | InChI=1S/C49H51N4O13PS/c1-32-28-52(47(57)50-45(32)55)43-26-39(63-34(3)54)42(65-43)31-62-67(59,61-24-25-68-38-22-14-7-15-23-38)66-40-27-44(53-29-33(2)46(56)51-48(53)58)64-41(40)30-60-49(35-16-8-4-9-17-35,36-18-10-5-11-19-36)37-20-12-6-13-21-37/h4-23,28-29,39-44H,24-27,30-31H2,1-3H3,(H,50,55,57)(H,51,56,58)/t39-,40-,41+,42+,43+,44+,67?/m0/s1 |
| InChIKey | UFINHZRNILLMHC-JGCRESOUSA-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 |