| SpectraBase Compound ID | LQPRaBxe6Av |
|---|---|
| InChI | InChI=1S/C47H48N4O16P2/c1-30-26-50(45(55)48-43(30)53)41-24-37(62-32(3)52)40(64-41)29-61-69(59,67-68(57,58)65-36-22-14-7-15-23-36)66-38-25-42(51-27-31(2)44(54)49-46(51)56)63-39(38)28-60-47(33-16-8-4-9-17-33,34-18-10-5-11-19-34)35-20-12-6-13-21-35/h4-23,26-27,37-42H,24-25,28-29H2,1-3H3,(H,57,58)(H,48,53,55)(H,49,54,56)/t37-,38-,39+,40+,41+,42+,69?/m0/s1 |
| InChIKey | IGLWLWPHLWZGLT-OOXCEKPDSA-N |
| Mol Weight | 986.9 g/mol |
| Molecular Formula | C47H48N4O16P2 |
| Exact Mass | 986.254055 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TAMYjzUxD2 |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-TRITYLDEOXYTHYMIDIN-3'-YLPHENYLPYROPHOSPHORYL)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 | C47H48N4O16P2 |
| InChI | InChI=1S/C47H48N4O16P2/c1-30-26-50(45(55)48-43(30)53)41-24-37(62-32(3)52)40(64-41)29-61-69(59,67-68(57,58)65-36-22-14-7-15-23-36)66-38-25-42(51-27-31(2)44(54)49-46(51)56)63-39(38)28-60-47(33-16-8-4-9-17-33,34-18-10-5-11-19-34)35-20-12-6-13-21-35/h4-23,26-27,37-42H,24-25,28-29H2,1-3H3,(H,57,58)(H,48,53,55)(H,49,54,56)/t37-,38-,39+,40+,41+,42+,69?/m0/s1 |
| InChIKey | IGLWLWPHLWZGLT-OOXCEKPDSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (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 |