| SpectraBase Compound ID | JeTk303xf0X |
|---|---|
| InChI | InChI=1S/C47H46ClN4O13P/c1-29-25-51(45(56)49-43(29)54)41-23-37(61-31(3)53)40(63-41)28-60-66(58,64-36-21-19-35(48)20-22-36)65-38-24-42(52-26-30(2)44(55)50-46(52)57)62-39(38)27-59-47(32-13-7-4-8-14-32,33-15-9-5-10-16-33)34-17-11-6-12-18-34/h4-22,25-26,37-42H,23-24,27-28H2,1-3H3,(H,49,54,56)(H,50,55,57)/t37-,38-,39+,40+,41+,42+,66?/m0/s1 |
| InChIKey | MUHFDIBORYQYDE-QYAZYUQOSA-N |
| Mol Weight | 941.3 g/mol |
| Molecular Formula | C47H46ClN4O13P |
| Exact Mass | 940.248752 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxdhtGZPH2M |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(4-CHLOROPHENYL)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 | C47H46ClN4O13P |
| InChI | InChI=1S/C47H46ClN4O13P/c1-29-25-51(45(56)49-43(29)54)41-23-37(61-31(3)53)40(63-41)28-60-66(58,64-36-21-19-35(48)20-22-36)65-38-24-42(52-26-30(2)44(55)50-46(52)57)62-39(38)27-59-47(32-13-7-4-8-14-32,33-15-9-5-10-16-33)34-17-11-6-12-18-34/h4-22,25-26,37-42H,23-24,27-28H2,1-3H3,(H,49,54,56)(H,50,55,57)/t37-,38-,39+,40+,41+,42+,66?/m0/s1 |
| InChIKey | MUHFDIBORYQYDE-QYAZYUQOSA-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 |