![N(4)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-[2-[(N,N-DIMETHYLAMINO)-OXY]-ETHYL]-5-METHYL-CYTIDINE-3'-O-SUCCINATE](/api/spectrum/IIiuhdyCRTS/structure.png?h=300&w=458 "N(4)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-[2-[(N,N-DIMETHYLAMINO)-OXY]-ETHYL]-5-METHYL-CYTIDINE-3'-O-SUCCINATE")
| SpectraBase Compound ID | Kl66wv9og2L |
|---|---|
| InChI | InChI=1S/C46H50N4O12/c1-30-28-50(45(55)48-42(30)47-43(54)31-12-8-6-9-13-31)44-41(58-26-27-60-49(2)3)40(62-39(53)25-24-38(51)52)37(61-44)29-59-46(32-14-10-7-11-15-32,33-16-20-35(56-4)21-17-33)34-18-22-36(57-5)23-19-34/h6-23,28,37,40-41,44H,24-27,29H2,1-5H3,(H,51,52)(H,47,48,54,55)/t37-,40-,41-,44-/m0/s1 |
| InChIKey | NSYXVPFVMSHCNB-GXHGELTFSA-N |
| Mol Weight | 850.9 g/mol |
| Molecular Formula | C46H50N4O12 |
| Exact Mass | 850.342523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIiuhdyCRTS |
|---|---|
| Name | N(4)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-[2-[(N,N-DIMETHYLAMINO)-OXY]-ETHYL]-5-METHYL-CYTIDINE-3'-O-SUCCINATE |
| Compound Number | 42 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H50N4O12 |
| InChI | InChI=1S/C46H50N4O12/c1-30-28-50(45(55)48-42(30)47-43(54)31-12-8-6-9-13-31)44-41(58-26-27-60-49(2)3)40(62-39(53)25-24-38(51)52)37(61-44)29-59-46(32-14-10-7-11-15-32,33-16-20-35(56-4)21-17-33)34-18-22-36(57-5)23-19-34/h6-23,28,37,40-41,44H,24-27,29H2,1-5H3,(H,51,52)(H,47,48,54,55)/t37-,40-,41-,44-/m0/s1 |
| InChIKey | NSYXVPFVMSHCNB-GXHGELTFSA-N |
| Literature Reference Author | T.P.PRAKASH,A.M.KAWASAKI,A.S.FRASER,G.VASQUEZ,M.MANOHARAN |
| Literature Reference Citation | J.ORG.CHEM.,67,357(2002) |
| Literature Reference DOI | 10.1021/jo0103975 |
| Molecular Weight | 850.923 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24136 |