| SpectraBase Compound ID | CRTXmI2ZaVC |
|---|---|
| InChI | InChI=1S/C47H46N5O15P/c1-29-25-50(45(56)48-43(29)54)41-23-37(63-31(3)53)40(65-41)28-62-68(60,66-36-21-19-35(20-22-36)52(58)59)67-38-24-42(51-26-30(2)44(55)49-46(51)57)64-39(38)27-61-47(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,48,54,56)(H,49,55,57)/t37-,38-,39+,40+,41+,42+,68?/m0/s1 |
| InChIKey | HHDFBHVISCMCBA-ZUCQLAGQSA-N |
| Mol Weight | 951.9 g/mol |
| Molecular Formula | C47H46N5O15P |
| Exact Mass | 951.272803 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHrPH6mkcMw |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(4-NITROPHENYL)PHOSPHORYL)DEOXYTHYMIDINE (DIASTEREOMER MIXTURE) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C47H46N5O15P |
| InChI | InChI=1S/C47H46N5O15P/c1-29-25-50(45(56)48-43(29)54)41-23-37(63-31(3)53)40(65-41)28-62-68(60,66-36-21-19-35(20-22-36)52(58)59)67-38-24-42(51-26-30(2)44(55)49-46(51)57)64-39(38)27-61-47(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,48,54,56)(H,49,55,57)/t37-,38-,39+,40+,41+,42+,68?/m0/s1 |
| InChIKey | HHDFBHVISCMCBA-ZUCQLAGQSA-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 |