![N(4)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-[2-[(N,N-DIMETHYLAMINO)-OXY]-ETHYL]-5-METHYL-CYTIDINE](/api/spectrum/7lKwGBetpfn/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")
| SpectraBase Compound ID | KVSFSosxn81 |
|---|---|
| InChI | InChI=1S/C42H46N4O9/c1-28-26-46(41(49)44-38(28)43-39(48)29-12-8-6-9-13-29)40-37(52-24-25-54-45(2)3)36(47)35(55-40)27-53-42(30-14-10-7-11-15-30,31-16-20-33(50-4)21-17-31)32-18-22-34(51-5)23-19-32/h6-23,26,35-37,40,47H,24-25,27H2,1-5H3,(H,43,44,48,49)/t35-,36-,37-,40-/m0/s1 |
| InChIKey | SMLDWMDWKBZHBG-HKSLQXHYSA-N |
| Mol Weight | 750.8 g/mol |
| Molecular Formula | C42H46N4O9 |
| Exact Mass | 750.326479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lKwGBetpfn |
|---|---|
| Name | N(4)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-[2-[(N,N-DIMETHYLAMINO)-OXY]-ETHYL]-5-METHYL-CYTIDINE |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46N4O9 |
| InChI | InChI=1S/C42H46N4O9/c1-28-26-46(41(49)44-38(28)43-39(48)29-12-8-6-9-13-29)40-37(52-24-25-54-45(2)3)36(47)35(55-40)27-53-42(30-14-10-7-11-15-30,31-16-20-33(50-4)21-17-31)32-18-22-34(51-5)23-19-32/h6-23,26,35-37,40,47H,24-25,27H2,1-5H3,(H,43,44,48,49)/t35-,36-,37-,40-/m0/s1 |
| InChIKey | SMLDWMDWKBZHBG-HKSLQXHYSA-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 | 750.849 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24132 |