| SpectraBase Compound ID | GUvzJvvdBJd |
|---|---|
| InChI | InChI=1S/C47H54N5O12P/c1-30-26-51(45(56)48-43(30)54)41-24-37(61-32(3)53)40(63-41)29-60-65(58,50-36-22-14-7-15-23-36)64-38-25-42(52-27-31(2)44(55)49-46(52)57)62-39(38)28-59-47(33-16-8-4-9-17-33,34-18-10-5-11-19-34)35-20-12-6-13-21-35/h4-6,8-13,16-21,26-27,36-42H,7,14-15,22-25,28-29H2,1-3H3,(H,50,58)(H,48,54,56)(H,49,55,57)/t37-,38-,39+,40+,41+,42+,65?/m0/s1 |
| InChIKey | QJKQPCKGRZXERI-ZCEFWCSBSA-N |
| Mol Weight | 911.9 g/mol |
| Molecular Formula | C47H54N5O12P |
| Exact Mass | 911.350659 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LcgoghoJ3O |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(CYCLOHEXYLAMIDO)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 | C47H54N5O12P |
| InChI | InChI=1S/C47H54N5O12P/c1-30-26-51(45(56)48-43(30)54)41-24-37(61-32(3)53)40(63-41)29-60-65(58,50-36-22-14-7-15-23-36)64-38-25-42(52-27-31(2)44(55)49-46(52)57)62-39(38)28-59-47(33-16-8-4-9-17-33,34-18-10-5-11-19-34)35-20-12-6-13-21-35/h4-6,8-13,16-21,26-27,36-42H,7,14-15,22-25,28-29H2,1-3H3,(H,50,58)(H,48,54,56)(H,49,55,57)/t37-,38-,39+,40+,41+,42+,65?/m0/s1 |
| InChIKey | QJKQPCKGRZXERI-ZCEFWCSBSA-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 |