| SpectraBase Compound ID | LBp46A1BVVF |
|---|---|
| InChI | InChI=1S/C59H59N6O15P/c1-38(66)20-29-54(67)79-46-34-52(64-32-30-50(62-57(64)70)60-55(68)39-14-8-5-9-15-39)78-49(46)37-76-81(74-4)80-47-35-53(65-33-31-51(63-58(65)71)61-56(69)40-16-10-6-11-17-40)77-48(47)36-75-59(41-18-12-7-13-19-41,42-21-25-44(72-2)26-22-42)43-23-27-45(73-3)28-24-43/h5-19,21-28,30-33,46-49,52-53H,20,29,34-37H2,1-4H3,(H,60,62,68,70)(H,61,63,69,71)/t46-,47-,48+,49+,52+,53+,81?/m0/s1 |
| InChIKey | LBQVWTYZADMYIJ-WOZCLMQHSA-N |
| Mol Weight | 1123.1 g/mol |
| Molecular Formula | C59H59N6O15P |
| Exact Mass | 1122.377602 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tmYNVx7JYu |
|---|---|
| Name | 3'-O-LEVULINOYL-5'-O-(5'-DIMETHOXYTRITYL-N-BENZOYLDEOXYCYTIDIN-3'-YLOXY(METHOXY)PHOSPHINO)-N-BENZOYLDEOXYCYTIDINE (ISOMER 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 | C59H59N6O15P |
| InChI | InChI=1S/C59H59N6O15P/c1-38(66)20-29-54(67)79-46-34-52(64-32-30-50(62-57(64)70)60-55(68)39-14-8-5-9-15-39)78-49(46)37-76-81(74-4)80-47-35-53(65-33-31-51(63-58(65)71)61-56(69)40-16-10-6-11-17-40)77-48(47)36-75-59(41-18-12-7-13-19-41,42-21-25-44(72-2)26-22-42)43-23-27-45(73-3)28-24-43/h5-19,21-28,30-33,46-49,52-53H,20,29,34-37H2,1-4H3,(H,60,62,68,70)(H,61,63,69,71)/t46-,47-,48+,49+,52+,53+,81?/m0/s1 |
| InChIKey | LBQVWTYZADMYIJ-WOZCLMQHSA-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 | CDCl3 chloroform-d |