| SpectraBase Compound ID | 3OVe00sfz7h |
|---|---|
| InChI | InChI=1S/C34H40N6O14P2/c1-20-16-39(33(44)35-31(20)42)29-14-25(51-22(3)41)27(52-29)19-50-56(48,38-24-12-8-5-9-13-24)54-26-15-30(40-17-21(2)32(43)36-34(40)45)53-28(26)18-49-55(46,47)37-23-10-6-4-7-11-23/h4-13,16-17,25-30H,14-15,18-19H2,1-3H3,(H,38,48)(H,35,42,44)(H,36,43,45)(H2,37,46,47)/t25-,26-,27+,28+,29+,30+,56?/m0/s1 |
| InChIKey | CLCDFWBUFAQXEO-YHWQIHJJSA-N |
| Mol Weight | 818.7 g/mol |
| Molecular Formula | C34H40N6O14P2 |
| Exact Mass | 818.207774 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBOAzrGYN98 |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-O-ANILIDOPHOSPHORYLDEOXYTHYMIDIN-3'-YLOXY(ANILIDO)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 | C34H40N6O14P2 |
| InChI | InChI=1S/C34H40N6O14P2/c1-20-16-39(33(44)35-31(20)42)29-14-25(51-22(3)41)27(52-29)19-50-56(48,38-24-12-8-5-9-13-24)54-26-15-30(40-17-21(2)32(43)36-34(40)45)53-28(26)18-49-55(46,47)37-23-10-6-4-7-11-23/h4-13,16-17,25-30H,14-15,18-19H2,1-3H3,(H,38,48)(H,35,42,44)(H,36,43,45)(H2,37,46,47)/t25-,26-,27+,28+,29+,30+,56?/m0/s1 |
| InChIKey | CLCDFWBUFAQXEO-YHWQIHJJSA-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 |