| SpectraBase Compound ID | 9CLN33Web5M |
|---|---|
| InChI | InChI=1S/C42H45N4O13P/c1-26-22-45(40(50)43-38(26)48)36-20-32(56-28(3)47)35(58-36)25-55-60(52,53-4)59-33-21-37(46-23-27(2)39(49)44-41(46)51)57-34(33)24-54-42(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-19,22-23,32-37H,20-21,24-25H2,1-4H3,(H,43,48,50)(H,44,49,51)/t32-,33-,34+,35+,36+,37+,60?/m0/s1 |
| InChIKey | QEDUECDJAAZFAH-DFJVCXRRSA-N |
| Mol Weight | 844.8 g/mol |
| Molecular Formula | C42H45N4O13P |
| Exact Mass | 844.272075 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1H6wsYsM8R3 |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(METHYL)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 | C42H45N4O13P |
| InChI | InChI=1S/C42H45N4O13P/c1-26-22-45(40(50)43-38(26)48)36-20-32(56-28(3)47)35(58-36)25-55-60(52,53-4)59-33-21-37(46-23-27(2)39(49)44-41(46)51)57-34(33)24-54-42(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-19,22-23,32-37H,20-21,24-25H2,1-4H3,(H,43,48,50)(H,44,49,51)/t32-,33-,34+,35+,36+,37+,60?/m0/s1 |
| InChIKey | QEDUECDJAAZFAH-DFJVCXRRSA-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 |